Basic information
- CAS
152-01-2- Standard SMILES
S=P(N1CCCCCC1)(N1CC1)N1CC1- InChIKey
IAQOECAZMQEZLI-UHFFFAOYSA-N- Molecular formula
- C10H20N3PS
- Average molar mass
- 245.33 g/mol
- Monoisotopic mass
- 245.11155582
Names & identifiers
- Preferred name
- N-Hexamethylene N',N''-diethylene thiophosphoramide
- IUPAC
- azepan-1-yl-bis(aziridin-1-yl)-sulfanylidene-λ5-phosphane
Names & synonyms
N-Hexamethylene N',N''-diethylene thiophosphoramide152-01-2UNII-9WSS9AT4GL9WSS9AT4GLKC-33NSC 42072NSC 62717NSC-42072NSC-627171H-Azepine, 1-(bis(1-aziridinyl)phosphinothioyl)hexahydro-DTXSID501649241H-Azepine, 1-[bis(1-aziridinyl)phosphinothioyl]hexahydro-
Show more names
RefChem:163466DTXCID3087415MLS002608360KC 33Phosphine sulfide, (hexahydro-1-azepinyl)bis(1-aziridinyl)-MP 101-14BD 1101-[bis(aziridin-1-yl)phosphorothioyl]azepane
Database identifiers
- CAS
152-01-2- PubChem CID
- 9035
- DTXSID
DTXSID50164924- ChEMBL
CHEMBL1716264- UNII
- 9WSS9AT4GL
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 41.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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