Basic information
- CAS
4623-55-6- Standard SMILES
Cc1csc(N)c1C#N- InChIKey
VVLPOLLOKMOHOP-UHFFFAOYSA-N- Molecular formula
- C6H6N2S
- Average molar mass
- 138.19 g/mol
- Monoisotopic mass
- 138.02516937
Names & identifiers
- Preferred name
- 2-Amino-4-methylthiophene-3-carbonitrile
- IUPAC
- 2-amino-4-methylthiophene-3-carbonitrile
- English name
- 2-amino-3-cyano-5-methylthiophene
- Molecular formula
- C6H6N2S
- Molecular weight
- 138.19
Names & synonyms
2-amino-4-methylthiophene-3-carbonitrileDTXSID80963528RefChem:464353DTXCID901391277826-858-34623-55-6MFCD002775682-Amino-3-cyano-4-methylthiophene2-Amino-4-methyl-thiophene-3-carbonitrileCS-0038888EN300-209371AA-516/30012034
Show more names
2-azanyl-4-methyl-thiophene-3-carbonitrile
Z2401262442-amino-4-methyl-3-thiophenecarbonitrile3-Thiophenecarbonitrile, 2-amino-4-methyl-NSC993253-ThiophenecarbonitrAM803934NCIOpen2_002047SCHEMBL1820046
Database identifiers
- CAS
4623-55-6- PubChem CID
- 264281
- DTXSID
DTXSID80963528- EC Number
- 826-858-3
- Nikkaji
- J138.286A
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Melting point
- 118 · 118-119 °C
- Boiling point
- 311.4 · 311.4±42.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- -0.15 · -0.15±0.10(Predicted)
- Appearance
- Off-white to light brown Solid
- InChI
- InChI=1S/C6H6N2S/c1-4-3-9-6(8)5(4)2-7/h3H,8H2,1H3
- InChIKey
- VVLPOLLOKMOHOP-UHFFFAOYSA-N
- SMILES
- C1(N)SC=C(C)C=1C#N
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 260 · P260-P280-P312
- HS Code
- 2934999090 · 2934999090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 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. 4 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P260-P280-P312
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers42 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
山东李比希生物医药科技有限公司17866677155 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
济南千叶医药技术有限公司0531-81313138 13066006660 · [email protected]
上海合寰化工科技有限公司18621911604 · [email protected]
盐城奥科联合医药科技有限公司0515-89701588 13770166955 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
南京一番化成生物科技有限公司025-025-52700520 18914499889
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
许昌峰飞新材料科技有限公司19713077352; 19713077352 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [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]
南京博米尔生物科技有限公司025-83453382-8005 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海尊理加生命科技有限公司021-34045219 13062664914 · [email protected]
上海泰坦科技股份有限公司18616708014 · [email protected]
上海百舜生物科技有限公司021-37581181 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
海蔚化学86-21-51086038 · [email protected]
Aladdin Scientific[email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海康恩博医药科技有限公司17510465506 · [email protected]
上海恬枫生物科技有限公司18717800556 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
河南威梯希化工科技有限公司0371-55135753 18003832934 · [email protected]
Related reactions
1 records
Compound notes
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