Basic information
- CAS
64686-82-4- Standard SMILES
NC(=O)c1sc(=S)n(Cc2ccccc2)c1N- InChIKey
KYVMDQPAZYWJQB-UHFFFAOYSA-N- Molecular formula
- C11H11N3OS2
- Average molar mass
- 265.4 g/mol
- Monoisotopic mass
- 265.03435433
Names & identifiers
- Preferred name
- 4-Amino-2,3-dihydro-3-(phenylmethyl)-2-thioxo-5-thiazolecarboxamide
- IUPAC
- 4-amino-3-benzyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
- English name
- 4-Amino-5-carbamyl-3-benzylthiazole-2(3H)-thione
- Molecular formula
- C11H11N3OS2
- Molecular weight
- 265.35
Names & synonyms
64686-82-4Thiazoline-2-thione, 4-amino-3-benzyl-5-carbamyl-DTXSID40214982RefChem:1070228DTXCID701374734-Amino-2,3-dihydro-3-(phenylmethyl)-2-thioxo-5-thiazolecarboxamide4-AMINO-3-BENZYL-2-SULFANYLIDENE-2,3-DIHYDRO-1,3-THIAZOLE-5-CARBOXAMIDEBRN 11260424-Amino-5-carbamyl-3-benzylthiazole-2(3H)-thione5-Thiazolecarboxamide, 2,3-dihydro-4-amino-3-(phenylmethyl)-2-thioxo-HMS3481M15AKOS000347935
Show more names
5-Thiazolecarboxamide, 4-amino-2,3-dihydro-3-(phenylmethyl)-2-thioxo-
Database identifiers
- CAS
64686-82-4- PubChem CID
- 3049367
- DTXSID
DTXSID40214982- Nikkaji
- J59.638H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Density
- 1.3454 · 1.3454 (rough estimate)
- refractive index
- 1.674 · 1.6740 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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