3-Methyl-1-benzothiophene-5-carboxylic acid
Basic information
- CAS
19404-24-1- Standard SMILES
Cc1csc2ccc(C(=O)O)cc12- InChIKey
XGOWVNJGEXECLA-UHFFFAOYSA-N- Molecular formula
- C10H8O2S
- Average molar mass
- 192.24 g/mol
- Monoisotopic mass
- 192.02450067
Names & identifiers
- Preferred name
- 3-Methyl-1-benzothiophene-5-carboxylic acid
- IUPAC
- 3-methyl-1-benzothiophene-5-carboxylic acid
- English name
- 3-methylbenzo[b]thiophene-5-carboxylic acid
- Molecular formula
- C10H8O2S
- Molecular weight
- 192.23
Names & synonyms
3-methyl-1-benzothiophene-5-carboxylic acid19404-24-1RefChem:503485888-833-33-methylbenzo[b]thiophene-5-carboxylic acidBenzo[b]thiophene-5-carboxylic acid, 3-methyl-AA-516/33242017SCHEMBL178427753-methylbenzothiophene-5-carboxylicAKOS006279895DB-342402EN300-8091539
Show more names
Z1198158713
Database identifiers
- CAS
19404-24-1- PubChem CID
- 821992
- EC Number
- 888-833-3
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 217
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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