Basic information
- CAS
5677-12-3- Standard SMILES
O=C1NC(=S)S/C1=C\c1ccc(N(CCCl)CCCl)cc1- InChIKey
PLSRJGXCEPRALP-XFXZXTDPSA-N- Molecular formula
- C14H14Cl2N2OS2
- Average molar mass
- 361.3 g/mol
- Monoisotopic mass
- 359.9924608
Names & identifiers
- Preferred name
- 5-[4-[Bis(2-chloroethyl)amino]benzylidene]-2-thioxo-thiazolidin-4-one
- IUPAC
- (5Z)-5-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
MLS0026949925677-12-3NSC90528SMR001560905BDBM91393cid_4302151DTXSID00421837NSC-905285-[4-[bis(2-chloroethyl)amino]benzylidene]-2-thioxo-thiazolidin-4-one5-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one5-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-2-sulfanylidene-4-thiazolidinone(5Z)-5-({4-[Bis(2-chloroethyl)amino]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Database identifiers
- CAS
5677-12-3- PubChem CID
- 6063005
- DTXSID
DTXSID00421837
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 89.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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