Basic information
- CAS
91972-60-0- Standard SMILES
O=C(CSCCCl)NCCCCCNC(=O)CSCCCl- InChIKey
OTLXQJRBLJWYIF-UHFFFAOYSA-N- Molecular formula
- C13H24Cl2N2O2S2
- Average molar mass
- 375.4 g/mol
- Monoisotopic mass
- 374.0656257
Names & identifiers
- Preferred name
- 2-(2-chloroethylsulfanyl)-N-[5-[[2-(2-chloroethylsulfanyl)acetyl]amino]pentyl]acetamide
- IUPAC
- 2-(2-chloroethylsulfanyl)-N-[5-[[2-(2-chloroethylsulfanyl)acetyl]amino]pentyl]acetamide
Names & synonyms
91972-60-0NSC58844DTXSID80919429NSC-58844N,N'-(Pentane-1,5-diyl)bis{[(2-chloroethyl)sulfanyl]ethanimidic acid}N,N'-(Pentane-1,5-diyl)bis{2-[(2-chloroethyl)sulfanyl]ethanimidic acid}
Database identifiers
- CAS
91972-60-0- PubChem CID
- 246201
- DTXSID
DTXSID80919429
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…