(((4-(Phenyldiazenyl)anilino)carbonyl)thio)acetic acid
Basic information
- CAS
69150-98-7- Standard SMILES
O=C(O)CSC(=O)Nc1ccc(N=Nc2ccccc2)cc1- InChIKey
AYVDJNSQVAPOCN-UHFFFAOYSA-N- Molecular formula
- C15H13N3O3S
- Average molar mass
- 315.3 g/mol
- Monoisotopic mass
- 315.06776246
Names & identifiers
- Preferred name
- (((4-(Phenyldiazenyl)anilino)carbonyl)thio)acetic acid
- IUPAC
- 2-[(4-phenyldiazenylphenyl)carbamoylsulfanyl]acetic acid
Names & synonyms
NSC62929769150-98-7NSC353485(((4-(Phenyldiazenyl)anilino)carbonyl)thio)acetic acidDTXSID90319996NSC-353485NSC-6292972-[N-(4-Phenylazophenylthiocarbamoyl)]-ethanoic acid{2-[N-(4-Phenylazophenylthiocarbamoyl)]-ethanoic} acid2-[[4-[(E)-phenylazo]phenyl]carbamoylsulfanyl]acetic acid[({4-[(E)-Phenyldiazenyl]phenyl}carbamoyl)sulfanyl]acetic acid
Database identifiers
- CAS
69150-98-7- PubChem CID
- 337007
- DTXSID
DTXSID90319996
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 403
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Related reactions
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Compound notes
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