Acetic acid, ((aminoiminomethyl)thio)((4-pyridinylcarbonyl)amino)-
Basic information
- CAS
63906-37-6- Standard SMILES
N=C(N)SC(NC(=O)c1ccncc1)C(=O)O- InChIKey
SLVONSPDRRWWSF-UHFFFAOYSA-N- Molecular formula
- C9H10N4O3S
- Average molar mass
- 254.27 g/mol
- Monoisotopic mass
- 254.04736137
Names & identifiers
- Preferred name
- Acetic acid, ((aminoiminomethyl)thio)((4-pyridinylcarbonyl)amino)-
- IUPAC
- 2-carbamimidoylsulfanyl-2-(pyridine-4-carbonylamino)acetic acid
- English name
- (Amidinothio)[(4-pyridinylcarbonyl)amino]acetic acid
- Molecular formula
- C9H10N4O3S
- Molecular weight
- 254.27
Names & synonyms
Acetic acid, isonicotinamido guanylmercapto-63906-37-6ACETIC ACID, ((AMINOIMINOMETHYL)THIO)((4-PYRIDINYLCARBONYL)AMINO)-RefChem:316080(Amidinothio)[(4-pyridinylcarbonyl)amino]acetic acidDTXSID00980934DB-310122(Carbamimidoylsulfanyl)(pyridine-4-carboxamido)acetic acid(Carbamimidoylsulfanyl)[(pyridine-4-carbonyl)amino]acetic acidAcetic acid, [(aminoiminomethyl)thio][(4-pyridinylcarbonyl)amino]- (9CI)
Database identifiers
- CAS
63906-37-6- PubChem CID
- 45143
- DTXSID
DTXSID00980934- Nikkaji
- J85.177I
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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