Basic information
- CAS
57633-42-8- Standard SMILES
Cc1ccc(NC(=S)N(C(N)=S)c2ccc(Cl)cc2)cc1- InChIKey
QEEQDALUCLNYHK-UHFFFAOYSA-N- Molecular formula
- C15H14ClN3S2
- Average molar mass
- 335.9 g/mol
- Monoisotopic mass
- 335.0317675
Names & identifiers
- Preferred name
- Thioimidodicarbonic diamide, N-(4-chlorophenyl)-N'-(4-methylphenyl)-
- IUPAC
- 1-carbamothioyl-1-(4-chlorophenyl)-3-(4-methylphenyl)thiourea
Names & synonyms
BRN 266534857633-42-8N-(4-Chlorophenyl)-N'-(4-methylphenyl)thioimidodicarbonic diamideThioimidodicarbonic diamide, N-(4-chlorophenyl)-N'-(4-methylphenyl)-RefChem:385164DTXSID70973212N-(4-Chlorophenyl)-N-[(4-methylphenyl)carbamothioyl]carbamimidothioic acid
Database identifiers
- CAS
57633-42-8- PubChem CID
- 3044729
- DTXSID
DTXSID70973212
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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