Basic information
- CAS
433245-13-7- Standard SMILES
Cc1ccc(C)n1-c1sc2c(c1C(=O)O)CCCC2- InChIKey
SJKZSURXGGPPSD-UHFFFAOYSA-N- Molecular formula
- C15H17NO2S
- Average molar mass
- 275.4 g/mol
- Monoisotopic mass
- 275.09799996
Names & identifiers
- Preferred name
- 2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
- IUPAC
- 2-(2,5-dimethylpyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
- English name
- 2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
- Molecular formula
- C15H17NO2S
- Molecular weight
- 275.37
Names & synonyms
433245-13-72-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid2-(2,5-Dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid2-(2,5-dimethylpyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acidMFCD031451822-(2,5-Dimethyl-pyrrol-1-yl)-4,5,6,7-tetrahydro-benzo[ b ]thiophene-3-carboxylic acid2-(2,5-dimethylpyrrolyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acidMLS000575274HMS2602G09CHEMBL1364573DTXSID40366056STK196827
Show more names
Benzo[b]thiophene-3-carboxylic acid, 2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid(SALTDATA: FREE)
AKOS000322128CCG-112659FS-5158SB627162-(2,5-Dimethyl-pyrrol-1-yl)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acidSMR000196508ST052977CS-0320069
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227
- Precautionary statements
- 501 · P501-P210-P280-P370+P378-P403+P235
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
- H227
- Precautionary statements
- P501-P210-P280-P370+P378-P403+P235
Chemistry & industry
Suppliers3 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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