Basic information
- CAS
15901-51-6- Standard SMILES
CCOC(=O)c1csnc1C- InChIKey
JZUYUZCELBUBSC-UHFFFAOYSA-N- Molecular formula
- C7H9NO2S
- Average molar mass
- 171.22 g/mol
- Monoisotopic mass
- 171.03539953
Names & identifiers
- Preferred name
- Ethyl 3-methylisothiazole-4-carboxylate
- IUPAC
- ethyl 3-methyl-1,2-thiazole-4-carboxylate
- English name
- ethyl 3-methylisothiazole-4-carboxylate
- Molecular formula
- C7H9NO2S
- Molecular weight
- 171.22
Names & synonyms
Ethyl 3-methylisothiazole-4-carboxylate15901-51-6ethyl 3-methyl-1,2-thiazole-4-carboxylateMFCD084456853-Methyl-isothiazole-4-carboxylic acid ethyl ester4-Isothiazolecarboxylic acid, 3-methyl-, ethyl esterEthyl3-methylisothiazole-4-carboxylateSCHEMBL3868869SCHEMBL11329525DTXSID40494888JZUYUZCELBUBSC-UHFFFAOYSA-NSBB088517
Show more names
Ethyl 3-methyl-1,2-thiazole-4-carboxylate, 4-(Ethoxycarbonyl)-3-methyl-1,2-thiazoleethyl 3-methyl-1,2-thiazole-4-carboxylate, 3-methyl-isothiazole-4-carboxylic acid ethyl ester, 3-Methyl-isothiazol-carbonsaeure-(4)-aethylester, 3-Methyl-4-isothiazolcarbonsaeureaethylester, Ethyl-3-methyl-4-isothiazolcarboxylat
AKOS015897463CS-10411TS-02329CS-0313065ST45256110F231880
Database identifiers
- CAS
15901-51-6- PubChem CID
- 12371906
- DTXSID
DTXSID40494888
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Boiling point
- 102 · 102-103 °C(Press: 8 Torr)
- Density
- 1.198 · 1.198±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- pka
- 2.72 · 2.72±0.22(Predicted)
- InChI
- 1S/C7H9NO2S/c1-3-10-7(9)6-4-11-8-5(6)2/h4H,3H2,1-2H3
- InChIKey
- JZUYUZCELBUBSC-UHFFFAOYSA-N
- SMILES
- CC1=NSC=C1C(OCC)=O
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- WGK Germany
- 3 · WGK 3
- HS Code
- 2934100090 · 2934100090
- 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.
Safety data
- wgk
- WGK 3
- hs_code
- 2934100090
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Suppliers17 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [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
上海拓朴医药科技有限公司+86 (21) 5196-9732
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
武汉易谊化学科技有限公司0711-3617768 13308685235 · [email protected]
华阴市赛普生物科技有限公司13892502238 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
3 records
Compound notes
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