Completing data — refresh the page later to see the latest
Basic information
- CAS
15903-66-9- Standard SMILES
Cc1nscc1C(=O)O- InChIKey
BOTUFHIAKJCIPY-UHFFFAOYSA-N- Molecular formula
- C5H5NO2S
- Average molar mass
- 143.17 g/mol
- Monoisotopic mass
- 143.0040994
Names & identifiers
- Preferred name
- 3-Methyl-1,2-thiazole-4-carboxylic acid
- IUPAC
- 3-methyl-1,2-thiazole-4-carboxylic acid
- English name
- 3-Methylisothiazole-4-carboxylic acid
- Molecular formula
- C5H5NO2S
- Molecular weight
- 143.16
Names & synonyms
3-methyl-1,2-thiazole-4-carboxylic acidRefChem:503371692-328-13-METHYLISOTHIAZOLE-4-CARBOXYLIC ACID15903-66-93-Methyl-isothiazole-4-carboxylic acidMFCD000305233-Methyl-4-isothiazolecarboxylic acid4-Isothiazolecarboxylic acid, 3-methyl-DTXSID40343281EN300-92085A809995
Show more names
3-methyl-1,2-thiazole-4-carboxylic acid - [M83293]
SCHEMBL3870892QAA903663-Methylisothiazole-4-carboxylicacidSBB0862874-Isothiazolecarboxylicacid,3-methyl-AKOS006375436AS-55683-Methyl-4-isothiazolecarboxylic acid #
Database identifiers
- CAS
15903-66-9- PubChem CID
- 588692
- DTXSID
DTXSID40343281- EC Number
- 692-328-1
- Nikkaji
- J101.291F
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Melting point
- 235.5 · 235.5-237.5 °C
- Boiling point
- 91.5 · 91.5-93 °C(Press: 3 Torr)
- Density
- 1.418 · 1.418±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- pka
- 1.78 · 1.78±0.25(Predicted)
- Appearance
- Off-white to yellow Solid
- InChI
- 1S/C5H5NO2S/c1-3-4(5(7)8)2-9-6-3/h2H,1H3,(H,7,8)
- InChIKey
- BOTUFHIAKJCIPY-UHFFFAOYSA-N
- SMILES
- CC1=NSC=C1C(O)=O
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- WGK Germany
- 3 · WGK 3
- HazardClass
- IRRITANT
- HS Code
- 2934208090 · 2934208090
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2934208090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Suppliers49 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
PharmOrgSyn Laboratories Co., Ltd.+86-021-38228826 +86-13916602830 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
南京修合医药科技有限公司19848384152 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海拓朴医药科技有限公司+86 (21) 5196-9732
北京伊诺凯科技有限公司15652467323 · [email protected]
苏州岚云医药科技有限公司2332782371 · [email protected]
郑州安步防护用具有限公司+86-0371-88006763; +86-15988602810 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
晟斯化工科技（上海）有限公司+86 13590492756 · [email protected]
上海华默西医药科技有限公司021-+86-021-38228826 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海擎苍化学科技有限公司00000000000 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
武汉易谊化学科技有限公司0711-3617768 13308685235 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
常州探索化学有限公司15295164949 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
Speranza Chemical Co., Ltd.+86-86-075521030354 +86-18688942810 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
上海珂华生物科技有限公司021-58581007 18019463053 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
常州探索化学有限公司+8615295164949 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [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（科小研试剂）400-1388-521 17510465506 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
晟斯化工科技（上海）有限公司+86-21-52751036 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
南京质信生物医药科技有限公司15366165407 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
郑州安慕斯化工产品有限公司15981811963 18737195735 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Golden Pharma Co., Limited+86-18958062155 · [email protected]
Related reactions
11 records
Compound notes
Loading…