2-(2-chloroethylsulfanyl)-N-[3-[[2-(2-chloroethylsulfanyl)acetyl]amino]-2-hydroxypropyl]acetamide
Basic information
- CAS
91354-85-7- Standard SMILES
O=C(CSCCCl)NCC(O)CNC(=O)CSCCCl- InChIKey
ALAOZHRZBLNBTC-UHFFFAOYSA-N- Molecular formula
- C11H20Cl2N2O3S2
- Average molar mass
- 363.3 g/mol
- Monoisotopic mass
- 362.0292402
Names & identifiers
- Preferred name
- 2-(2-chloroethylsulfanyl)-N-[3-[[2-(2-chloroethylsulfanyl)acetyl]amino]-2-hydroxypropyl]acetamide
- IUPAC
- 2-(2-chloroethylsulfanyl)-N-[3-[[2-(2-chloroethylsulfanyl)acetyl]amino]-2-hydroxypropyl]acetamide
Names & synonyms
91354-85-7NSC58822DTXSID50919799NSC-58822N,N'-(2-Hydroxypropane-1,3-diyl)bis{[(2-chloroethyl)sulfanyl]ethanimidic acid}N,N'-(2-Hydroxypropane-1,3-diyl)bis{2-[(2-chloroethyl)sulfanyl]ethanimidic acid}
Database identifiers
- CAS
91354-85-7- PubChem CID
- 246183
- DTXSID
DTXSID50919799
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 260
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Related reactions
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Compound notes
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