Basic information
- CAS
2635-75-8- Standard SMILES
O=C(O)Cc1cccc2sccc12- InChIKey
IFOMXIGWQFOYLA-UHFFFAOYSA-N- Molecular formula
- C10H8O2S
- Average molar mass
- 192.24 g/mol
- Monoisotopic mass
- 192.02450067
Names & identifiers
- Preferred name
- 4-(Benzo(b)thienyl)acetic acid
- IUPAC
- 2-(1-benzothiophen-4-yl)acetic acid
Names & synonyms
2635-75-8Benzo[b]thiophene-4-acetic acid4-(Benzo(b)thienyl)acetic acidEINECS 220-125-6Benzo(b)thiophene-4-acetic acidDTXSID20180954NSC 27409RefChem:515167DTXCID60103445220-125-62-(1-benzothiophen-4-yl)acetic acid4-Thianaphtheneacetic acid
Show more names
MFCD001528655W5BST5F9VNSC-274092-(benzo[b]thiophen-4-yl)acetic acidBenzo[b]thiophene-4-aceticacidUNII-5W5BST5F9V4-thianaphthene-acetic acidSCHEMBL632950
Database identifiers
- CAS
2635-75-8- PubChem CID
- 75833
- DTXSID
DTXSID20180954- UNII
- 5W5BST5F9V
- EC Number
- 220-125-6
- Nikkaji
- J124.104D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
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
8 records
Compound notes
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