Basic information
- CAS
1865-22-1- Standard SMILES
O=S(Sc1ccc(N(CCCl)CCCl)cc1)c1ccc(N(CCCl)CCCl)cc1- InChIKey
KQVPJSNQARRBTA-UHFFFAOYSA-N- Molecular formula
- C20H24Cl4N2OS2
- Average molar mass
- 514.4 g/mol
- Monoisotopic mass
- 512.008417
Names & identifiers
- Preferred name
- s-{4-[Bis(2-chloroethyl)amino]phenyl} 4-[bis(2-chloroethyl)amino]benzenesulfinothioate
- IUPAC
- 4-[4-[bis(2-chloroethyl)amino]phenyl]sulfinylsulfanyl-N,N-bis(2-chloroethyl)aniline
Names & synonyms
1865-22-1NSC153715s-{4-[bis(2-chloroethyl)amino]phenyl} 4-[bis(2-chloroethyl)amino]benzenesulfinothioateDTXSID90302803NSC-153715S-{4-[Bis(2-chloroethyl)amino]phenyl} 4-[bis(2-chloroethyl)amino]benzene-1-sulfinothioate
Database identifiers
- CAS
1865-22-1- PubChem CID
- 290397
- DTXSID
DTXSID90302803
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 68.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 450
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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