Basic information
- CAS
4406-60-4- Standard SMILES
Nc1cc([As]2SCC(CO)S2)ccc1O- InChIKey
VMTDZYVXHMNQPW-UHFFFAOYSA-N- Molecular formula
- C9H12AsNO2S2
- Average molar mass
- 305.3 g/mol
- Monoisotopic mass
- 304.952541
Names & identifiers
- Preferred name
- 2-Amino-4-[4-(hydroxymethyl)-1,3,2-dithiarsolan-2-yl]phenol
- IUPAC
- 2-amino-4-[4-(hydroxymethyl)-1,3,2-dithiarsolan-2-yl]phenol
Names & synonyms
4406-60-42-amino-4-[4-(hydroxymethyl)-1,3,2-dithiarsolan-2-yl]phenolNSC36393ANTINEOPLASTIC-36393DTXSID40284266NSC-36393
Database identifiers
- CAS
4406-60-4- PubChem CID
- 235239
- DTXSID
DTXSID40284266
Properties
Computed structural properties
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 222
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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