(4-{[(Carbamoylsulfanyl)acetyl]amino}phenyl)acetic acid
Basic information
- CAS
6268-83-3- Standard SMILES
NC(=O)SCC(=O)Nc1ccc(CC(=O)O)cc1- InChIKey
URDSUSQMKXUXTD-UHFFFAOYSA-N- Molecular formula
- C11H12N2O4S
- Average molar mass
- 268.29 g/mol
- Monoisotopic mass
- 268.05177804
Names & identifiers
- Preferred name
- (4-{[(Carbamoylsulfanyl)acetyl]amino}phenyl)acetic acid
- IUPAC
- 2-[4-[(2-carbamoylsulfanylacetyl)amino]phenyl]acetic acid
Names & synonyms
6268-83-3(4-{[(carbamoylsulfanyl)acetyl]amino}phenyl)acetic acid2-[4-[(2-carbamoylsulfanylacetyl)amino]phenyl]acetic acidNSC34649DTXSID90283981NSC-34649{4-[2-(CARBAMOYLSULFANYL)ACETAMIDO]PHENYL}ACETIC ACID
Database identifiers
- CAS
6268-83-3- PubChem CID
- 234563
- DTXSID
DTXSID90283981
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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