Basic information
- CAS
93865-77-1- Standard SMILES
CC(OC(=O)CCSCCCl)C(C)OC(=O)CCSCCCl- InChIKey
FTTQKPZAOXQQBP-UHFFFAOYSA-N- Molecular formula
- C14H24Cl2O4S2
- Average molar mass
- 391.4 g/mol
- Monoisotopic mass
- 390.049307
Names & identifiers
- Preferred name
- Butane-2,3-diyl bis{3-[(2-chloroethyl)sulfanyl]propanoate}
- IUPAC
- 3-[3-(2-chloroethylsulfanyl)propanoyloxy]butan-2-yl 3-(2-chloroethylsulfanyl)propanoate
Names & synonyms
93865-77-1NSC58831butane-2,3-diyl bis{3-[(2-chloroethyl)sulfanyl]propanoate}DTXSID70289067NSC-58831
Database identifiers
- CAS
93865-77-1- PubChem CID
- 246191
- DTXSID
DTXSID70289067
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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