(S)-Suprofen
Basic information
- CAS
52780-12-8- Standard SMILES
C[C@H](C(=O)O)c1ccc(C(=O)c2cccs2)cc1- InChIKey
MDKGKXOCJGEUJW-VIFPVBQESA-N- Molecular formula
- C14H12O3S
- Average molar mass
- 260.31 g/mol
- Monoisotopic mass
- 260.05071541
Names & identifiers
- Preferred name
- (S)-Suprofen
- IUPAC
- (2S)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid
- English name
- (S)-2-[4-(thien-2-ylcarbonyl)phenyl]butyric acid
- Molecular formula
- C14H12O3S
- Molecular weight
- 260.31
Names & synonyms
(S)-Suprofen52780-12-8(2S)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid(+)-SuprofenSuprofen, (S)-NIOSH/CY1685650TQ57I8046VCY16856500(+)-alpha-Methyl-4-(2-thienylcarbonyl)benzeneacetic acidBenzeneacetic acid, alpha-methyl-4-(2-thienylcarbonyl)-, (S)-(S)-(+)-suprofenM5A
Show more names
(S)-2-[4-(thien-2-ylcarbonyl)phenyl]butyric acid(S)-α-Methyl-4-(2-thienylcarbonyl)benzeneacetic acid(2S)-2-[4-[(2-Thienyl)carbonyl]phenyl]propionic acidBenzeneacetic acid, a-methyl-4-(2-thienylcarbonyl)-, (S)-Benzeneacetic acid, α-methyl-4-(2-thienylcarbonyl)-, (αS)-Benzeneacetic acid, a-methyl-4-(2-thienylcarbonyl)-, (aS)- (9CI)
BIDD:GT0542UNII-TQ57I8046VCHEMBL253766SCHEMBL5102821(S)-alpha-methyl-4-(2-thienylcarbonyl)benzeneacetic acidDTXSID901317910EINECS 258-175-6EBC-12734
Database identifiers
- CAS
52780-12-8- PubChem CID
- 688580
- DTXSID
DTXSID901317910- ChEMBL
CHEMBL253766- UNII
- TQ57I8046V
- EC Number
- 258-175-6
- Nikkaji
- J295.796E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 321
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- FDA UNII
- 57 I8046V · TQ57I8046V
Related reactions
2 records
Compound notes
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