Antineoplastic-27183
Basic information
- CAS
51112-57-3- Standard SMILES
O=[As](O)(O)c1ccc(NC(=S)Nc2ccc([As](=O)(O)O)cc2)cc1- InChIKey
MGANBGWBZJFKAL-UHFFFAOYSA-N- Molecular formula
- C13H14As2N2O6S
- Average molar mass
- 476.17 g/mol
- Monoisotopic mass
- 475.90045
Names & identifiers
- Preferred name
- Antineoplastic-27183
- IUPAC
- [4-[(4-arsonophenyl)carbamothioylamino]phenyl]arsonic acid
Names & synonyms
51112-57-3ANTINEOPLASTIC-27183NSC27183DTXSID10395939NSC-27183[Carbonothioylbis(azanediyl-4,1-phenylene)]bis(arsonic acid)
Database identifiers
- CAS
51112-57-3- PubChem CID
- 3752912
- DTXSID
DTXSID10395939
Properties
Computed structural properties
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 489
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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