Basic information
- CAS
103646-25-9- Standard SMILES
CCOC(=O)c1ccc2nc(C)sc2c1- InChIKey
XLUVVPRHNXGQJG-UHFFFAOYSA-N- Molecular formula
- C11H11NO2S
- Average molar mass
- 221.28 g/mol
- Monoisotopic mass
- 221.05104959
Names & identifiers
- Preferred name
- Ethyl 2-methyl-1,3-benzothiazole-6-carboxylate
- IUPAC
- ethyl 2-methyl-1,3-benzothiazole-6-carboxylate
- English name
- ETHYL 2-METHYL-1,3-BENZOTHIAZOLE-6-CARBOXYLATE
- Molecular formula
- C11H11NO2S
- Molecular weight
- 221.28
Names & synonyms
ethyl 2-methyl-1,3-benzothiazole-6-carboxylate103646-25-9ethyl 2-methylbenzo[d]thiazole-6-carboxylateMFCD002264386-benzothiazolecarboxylic acid, 2-methyl-, ethyl ester2-methyl-benzothiazole-6-carboxylic acid ethyl esterethyl 2-methylbenzothiazole-6-carboxylateSCHEMBL4667327DTXSID70348805XLUVVPRHNXGQJG-UHFFFAOYSA-NSBB0961696-ethoxycarbonyl-2-methylbenzothiazole
Show more names
AKOS005072166DA-0920DB-360382CS-0321480H37180Z567563446-Benzothiazolecarboxylicacid,2-methyl-,ethylester(6CI,9CI)InChI=1/C11H11NO2S/c1-3-14-11(13)8-4-5-9-10(6-8)15-7(2)12-9/h4-6H,3H2,1-2H
Database identifiers
- CAS
103646-25-9- PubChem CID
- 640775
- DTXSID
DTXSID70348805
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 247
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 67 · 67-69
- Boiling point
- 332.5 · 332.5±15.0 °C(Predicted)
- Density
- 1.25 · 1.250±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 0.5 · 0.50±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 260 · P260-P280-P301+P312-P302+P352-P304+P340-P361+P364
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2934208090 · 2934208090
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
- hs_code
- 2934208090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P260-P280-P301+P312-P302+P352-P304+P340-P361+P364
Chemistry & industry
Suppliers12 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
华诺医药科技(广西)有限公司13005928603 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
2 records
Compound notes
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