(3E)-1-carbamothioyl-3-[(E)-4-(2-chlorophenyl)but-3-en-2-ylidene]thiourea
Basic information
- CAS
6622-83-9- Standard SMILES
CC(/C=C/c1ccccc1Cl)=N\C(=S)NC(N)=S- InChIKey
SQDVUMGAGJLCFO-FTLCMBAGSA-N- Molecular formula
- C12H12ClN3S2
- Average molar mass
- 297.8 g/mol
- Monoisotopic mass
- 297.0161174
Names & identifiers
- Preferred name
- (3E)-1-carbamothioyl-3-[(E)-4-(2-chlorophenyl)but-3-en-2-ylidene]thiourea
- IUPAC
- (3E)-1-carbamothioyl-3-[(E)-4-(2-chlorophenyl)but-3-en-2-ylidene]thiourea
Names & synonyms
NSC55289NSC-55289
Database identifiers
- CAS
6622-83-9- PubChem CID
- 6450845
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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