Basic information
- CAS
332099-01-1- Standard SMILES
CCOC(=O)c1cc2cc(Cl)sc2[nH]1- InChIKey
IQXHZVYDWBMTFS-UHFFFAOYSA-N- Molecular formula
- C9H8ClNO2S
- Average molar mass
- 229.68 g/mol
- Monoisotopic mass
- 228.9964274
Names & identifiers
- Preferred name
- ethyl 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylate
- IUPAC
- ethyl 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylate
- English name
- 2-Chloro-6H-thieno[2,3-b]pyrrole-5-carboxylic acid ethyl ester
- Molecular formula
- C9H8ClNO2S
- Molecular weight
- 229.68
Names & synonyms
332099-01-1ethyl 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylate2-Chloro-6H-thieno[2,3-b]pyrrole-5-carboxylic acid ethyl esterMFCD12827968SCHEMBL1244777DTXSID70469261IQXHZVYDWBMTFS-UHFFFAOYSA-NAKOS015901365AS-53555CS-0451164P16664F534831
Show more names
6H-Thieno[2,3-b]pyrrole-5-carboxylic acid, 2-chloro-, ethyl ester
ethyl2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylate
Database identifiers
- CAS
332099-01-1- PubChem CID
- 11601065
- DTXSID
DTXSID70469261
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Density
- 1.456 · 1.456
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Suppliers5 total
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
艾览（上海）化工科技有限公司400-668-9898 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
12 records
Compound notes
Loading…