(E)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enethioamide
Basic information
- CAS
68029-43-6- Standard SMILES
N#C/C(=C\c1ccc(Cl)cc1Cl)C(N)=S- InChIKey
VZFULLMAHIALTN-XVNBXDOJSA-N- Molecular formula
- C10H6Cl2N2S
- Average molar mass
- 257.14 g/mol
- Monoisotopic mass
- 255.9628748
Names & identifiers
- Preferred name
- (E)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enethioamide
- IUPAC
- (E)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enethioamide
Names & synonyms
(E)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enethioamide68029-43-6NSC272447HMS562J05AKOS001144913CCG-245042NSC-272447Z44343046
Database identifiers
- CAS
68029-43-6- PubChem CID
- 712116
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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