Basic information
- CAS
3790-24-7- Standard SMILES
CC(C)CCOP(=S)(N1CC1)N1CC1- InChIKey
YLPWIORJGRKARC-UHFFFAOYSA-N- Molecular formula
- C9H19N2OPS
- Average molar mass
- 234.3 g/mol
- Monoisotopic mass
- 234.09557141
Names & identifiers
- Preferred name
- Isopentyl alcohol, O-bis(1-aziridinyl)phosphinothioate
- IUPAC
- bis(aziridin-1-yl)-(3-methylbutoxy)-sulfanylidene-λ5-phosphane
Names & synonyms
NSC482453790-24-7Isopentyl alcohol, O-bis(1-aziridinyl)phosphinothioateDTXSID90328720NSC-48245Phosphinothioic acid, O-isopentyl esterO-(3-Methylbutyl) bis(aziridin-1-yl)phosphinothioate
Database identifiers
- CAS
3790-24-7- PubChem CID
- 413456
- DTXSID
DTXSID90328720
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 235
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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