2-(4-Methoxyanilino)-2-(2-thienyl)acetic acid
Basic information
- CAS
199461-24-0- Standard SMILES
COc1ccc(NC(C(=O)O)c2cccs2)cc1- InChIKey
MYWPIJKTTXHAIE-UHFFFAOYSA-N- Molecular formula
- C13H13NO3S
- Average molar mass
- 263.31 g/mol
- Monoisotopic mass
- 263.06161445
Names & identifiers
- Preferred name
- 2-(4-Methoxyanilino)-2-(2-thienyl)acetic acid
- IUPAC
- 2-(4-methoxyanilino)-2-thiophen-2-ylacetic acid
- English name
- (4-Methoxy-phenylamino)-thiophen-2-yl-acetic acid
- Molecular formula
- C13H13NO3S
- Molecular weight
- 263.31
Names & synonyms
199461-24-02-(4-methoxyanilino)-2-(2-thienyl)acetic acid2-((4-Methoxyphenyl)amino)-2-(thiophen-2-yl)acetic acid2-(4-methoxyanilino)-2-thiophen-2-ylacetic acid(4-Methoxy-phenylamino)-thiophen-2-yl-acetic acid[(4-methoxyphenyl)amino](thien-2-yl)acetic acid2-[(4-methoxyphenyl)amino]-2-(thiophen-2-yl)acetic acidSCHEMBL3816968DTXSID60374870MFCD04116995SBB102668AKOS005073287
Show more names
2-Thiopheneacetic acid, α-[(4-methoxyphenyl)amino]-
LB-0704CS-0358372(4-Methoxyanilino)(thiophen-2-yl)acetic acid2-[(4-methoxyphenyl)amino]-2-(2-thienyl)acetic acid2-((4-Methoxyphenyl)amino)-2-(thiophen-2-yl)aceticacid
Database identifiers
- CAS
199461-24-0- PubChem CID
- 2759634
- DTXSID
DTXSID60374870
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 86.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Melting point
- 168 · 168-170°C
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2934999090 · 2934999090
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
- 2934999090
- hazard_code
- Xi
- hazard_class
- IRRITANT
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Related reactions
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Compound notes
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