Basic information
- CAS
2091-06-7- Standard SMILES
O=P1(N(CCCl)CCCl)SCCS1- InChIKey
YVCCZLBORRBTJI-UHFFFAOYSA-N- Molecular formula
- C6H12Cl2NOPS2
- Average molar mass
- 280.2 g/mol
- Monoisotopic mass
- 278.9474987
Names & identifiers
- Preferred name
- 1,3,2-Dithiaphospholane, 2-(bis(2-chloroethyl)amino)-, 2-oxide
- IUPAC
- N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ5-dithiaphospholan-2-amine
Names & synonyms
B 832BRN 24530621,3,2-DITHIAPHOSPHOLANE, 2-(BIS(2-CHLOROETHYL)AMINO)-, 2-OXIDEDTXSID401750642091-06-72-(Bis(2-chloroethyl)amino)-1,3,2-dithiaphospholane 2-oxideRefChem:216669DTXCID30975552-[Bis(2-chloroethyl)amino]-1,3,2lambda~5~-dithiaphospholan-2-one
Database identifiers
- CAS
2091-06-7- PubChem CID
- 16407
- DTXSID
DTXSID40175064- Nikkaji
- J87.570H
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 70.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 191
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…