Methyl N,N'-dibenzoylcarbamimidothioate
Basic information
- CAS
19921-98-3- Standard SMILES
CSC(=NC(=O)c1ccccc1)NC(=O)c1ccccc1- InChIKey
PKUHWNBINTUHOD-UHFFFAOYSA-N- Molecular formula
- C16H14N2O2S
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.07759887
Names & identifiers
- Preferred name
- Methyl N,N'-dibenzoylcarbamimidothioate
- IUPAC
- methyl N,N'-dibenzoylcarbamimidothioate
Names & synonyms
Methyl N,N'-dibenzoylcarbamimidothioate19921-98-3DTXSID50579675RefChem:356712DTXCID70530440CHEMBL247395SCHEMBL2316730SCHEMBL2316734PKUHWNBINTUHOD-UHFFFAOYSA-N(Z)-methyl N,N'-dibenzoylcarbamimidothioate
Database identifiers
- CAS
19921-98-3- PubChem CID
- 15922982
- DTXSID
DTXSID50579675- ChEMBL
CHEMBL247395- Nikkaji
- J2.785.985B
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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