Basic information
- CAS
13163-99-0- Standard SMILES
COP(=S)(N1CC1)N1CC1- InChIKey
XVFVWPOKYDEGKY-UHFFFAOYSA-N- Molecular formula
- C5H11N2OPS
- Average molar mass
- 178.2 g/mol
- Monoisotopic mass
- 178.03297115
Names & identifiers
- Preferred name
- O-Methyl bis[(aziridin-1-yl)]phosphinothioate
- IUPAC
- bis(aziridin-1-yl)-methoxy-sulfanylidene-λ5-phosphane
Names & synonyms
13163-99-0NSC76407Thiotepa Impurity 23O-Methyl bis[(aziridin-1-yl)]phosphinothioateSCHEMBL13660172DTXSID10328989NSC-76407Phosphinothioic acid, O-methyl esterO-methyl di(aziridin-1-yl)phosphinothioateO-Methyl bis(aziridin-1-yl)phosphinothioate
Database identifiers
- CAS
13163-99-0- PubChem CID
- 416166
- DTXSID
DTXSID10328989
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 174
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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