Basic information
- CAS
20300-02-1- Standard SMILES
NC(=S)c1cccs1- InChIKey
HDXYHAPUCGQOBX-UHFFFAOYSA-N- Molecular formula
- C5H5NS2
- Average molar mass
- 143.2 g/mol
- Monoisotopic mass
- 142.98634151
Names & identifiers
- Preferred name
- 2-Thiophenecarbothioamide
- IUPAC
- thiophene-2-carbothioamide
- English name
- Thiophene-2-thiocarboxamide
- Molecular formula
- C5H5NS2
- Molecular weight
- 143.23
Names & synonyms
thiophene-2-carbothioamide20300-02-12-ThiophenecarbothioamideDTXSID50353210RefChem:483768DTXCID60304273641-315-9thiophene-2-thiocarboxamideThiophen-2-carbothioamideMFCD00052890Thiophene-2-carbothioic acid amidethiophene-2-thioamide
Show more names
OTAVA-BB BB70203313112-Thiocarbamoylthiophene2-ThienylthiocarboxamideThiophen-2-thiocarboxamid2-Thiophenethiocarboxamide
(thien-2-yl)thiocarboxamidethiophen-2-carbothioic acid amideHMS1768N15Thiophene-2-carbothioamide, AldrichCPREN300-07295amino-2-thienylmethane-1-thioneSMV2-thiophe
Database identifiers
- CAS
20300-02-1- PubChem CID
- 737237
- DTXSID
DTXSID50353210- ChEMBL
CHEMBL2441348- EC Number
- 641-315-9
- Nikkaji
- J526.384K
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Melting point
- 106 °C · 106 °C
- Boiling point
- 260 ℃ · 260℃
- Density
- 1.357 · 1.357
- Flash point
- 111 ℃ · 111℃
- storage temp.
- 2 · 2-8°C(protect from light)
- form
- powder to crystal
- pka
- 12.56 · 12.56±0.29(Predicted)
- color
- White to Yellow to Green
- Water Solubility
- Insoluble in water.
- BRN
- 110159 · 110159
- InChI
- 1S/C5H5NS2/c6-5(7)4-2-1-3-8-4/h1-3H,(H2,6,7)
- InChIKey
- HDXYHAPUCGQOBX-UHFFFAOYSA-N
- SMILES
- NC(=S)c1cccs1
- CAS DataBase Reference
- 20300 · 20300-02-1(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Warning
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 280 h-P305+P351+P338-P309-P310 · P280h-P305+P351+P338-P309-P310
- Hazard Codes
- Xi
- Risk Statements
- 25 · 25-43
- Safety Statements
- 22 · 22-36/37/39-45-36/37
- RIDADR
- 2811 · 2811
- WGK Germany
- 3 · WGK 3
- Hazard Note
- Irritant
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 2934999090 · 2934999090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralSkin · Acute Tox. 4 OralSkin Sens. 1
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (75%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (16.7%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (16.7%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 12 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (75%)；Acute Tox. 3 (16.7%)；Skin Irrit. 2 (75%)；Eye Irrit. 2A (75%)；Acute Tox. 3 (16.7%)；STOT SE 3 (66.7%)
Safety data
- wgk
- WGK 3
- ridadr
- 2811
- hs_code
- 2934999090
- risk_code
- 25-43
- Signal word
- Warning
- Symbol(GHS)
- GHS06
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 22-36/37/39-45-36/37
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H301-H315-H319-H335
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 4 OralSkin Sens. 1
- Precautionary statements
- P280h-P305+P351+P338-P309-P310
Chemistry & industry
Applications
UsesThiophene-2-thiocarboxamide is used as a pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Suppliers98 total
南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
上海康恩博医药科技有限公司17510465506 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Changzhou Carman Chemical Co., Ltd.15061933924
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
常州卡伏勒环保材料有限公司13839301681 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
HONG KONG IPURE BIOLOGY CO.,LIMITED86 18062405514 18062405514 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
卡迪亚医药科技有限公司0371-86615086 18203638366 0371-86159066 13526786601
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
南通嘉星泰生物科技有限公司18795782766 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
南京益冉生物医药科技有限公司13770809694 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
河南瑞斯奇新材料有限公司86-18903931531 18903931628 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
武汉福鑫化工有限公司+86-2759207851; +86-18007136271 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
湖北美钡新材料有限公司18271819653 · [email protected]
上海玖巨化工科技有限公司021-54290889 18117093889;17717355955 · [email protected]
上海思言生物科技有限公司021-50908862，442785678，326799392 18721037013 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
南京协诺生物技术有限公司025-84112752 13805181430 · [email protected]
Related reactions
14 records
Compound notes
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