(4-{[(Carbamoylsulfanyl)acetyl]amino}phenyl)arsonic acid
Basic information
- CAS
5428-98-8- Standard SMILES
NC(=O)SCC(=O)Nc1ccc([As](=O)(O)O)cc1- InChIKey
NAZCZDHDEXILPQ-UHFFFAOYSA-N- Molecular formula
- C9H11AsN2O5S
- Average molar mass
- 334.18 g/mol
- Monoisotopic mass
- 333.960462
Names & identifiers
- Preferred name
- (4-{[(Carbamoylsulfanyl)acetyl]amino}phenyl)arsonic acid
- IUPAC
- [4-[(2-carbamoylsulfanylacetyl)amino]phenyl]arsonic acid
Names & synonyms
5428-98-8(4-{[(carbamoylsulfanyl)acetyl]amino}phenyl)arsonic acidNSC13340ANTINEOPLASTIC-13340DTXSID00279597NSC-13340{4-[2-(Carbamoylsulfanyl)acetamido]phenyl}arsonic acid
Database identifiers
- CAS
5428-98-8- PubChem CID
- 224660
- DTXSID
DTXSID00279597
Properties
Computed structural properties
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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