Urea, 2-acetyl-1-phenyl-2-thio-
Basic information
- CAS
61629-27-4- Standard SMILES
CC(=O)SC(N)Nc1ccccc1- InChIKey
MNFFDYUSNKRWBD-UHFFFAOYSA-N- Molecular formula
- C9H12N2OS
- Average molar mass
- 196.27 g/mol
- Monoisotopic mass
- 196.06703418
Names & identifiers
- Preferred name
- Urea, 2-acetyl-1-phenyl-2-thio-
- IUPAC
- S-[amino(anilino)methyl] ethanethioate
- English name
- 2-Acetyl-1-phenylisothiourea
- Molecular formula
- C9H10N2OS
- Molecular weight
- 194.25
Names & synonyms
S-Acetyl-1-phenyl thioureaUSAF EL-93Urea, 2-acetyl-1-phenyl-2-thio-61629-27-4Ethanethioic acid, anhydrosulfide with phenylcarbamimidothioic acidRefChem:387645S-[amino(anilino)methyl] ethanethioateDTXSID00977223S-Amino(anilino)methyl ethanethioate2-Acetyl-1-phenylisothioureaS-Acetyl-phenyl-isothioharnstoffEthanethioic acid, S-[imino(phenylamino)methyl] ester
Database identifiers
- CAS
61629-27-4- PubChem CID
- 108565
- DTXSID
DTXSID00977223
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 169
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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