Basic information
- CAS
670261-48-0- Standard SMILES
COC(=O)c1sc(=S)n(Cc2ccccc2)c1C- InChIKey
HCCFNURPXOGVMO-UHFFFAOYSA-N- Molecular formula
- C13H13NO2S2
- Average molar mass
- 279.4 g/mol
- Monoisotopic mass
- 279.038771
Names & identifiers
- Preferred name
- Methyl 3-benzyl-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
- IUPAC
- methyl 3-benzyl-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
Names & synonyms
670261-48-0Methyl 3-benzyl-4-methyl-2-thioxo-2,3-dihydrothiazole-5-carboxylatemethyl 3-benzyl-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylatemethyl 3-benzyl-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylateMLS000769161MFCD03670276SMR0004338953-Benzyl-4-methyl-2-thioxo-2,3-dihydro-thiazole-5-carboxylic acid methyl estermethyl 3-benzyl-4-methyl-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylatestarbld0020698cid_950418CHEMBL1302935
Show more names
BDBM69479DTXSID601333759HMS2800C07ALBB-032224STL337034AKOS022103086LS-11891ST095926
Database identifiers
- CAS
670261-48-0- PubChem CID
- 950418
- DTXSID
DTXSID601333759- ChEMBL
CHEMBL1302935
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 386
Experimental & physicochemical properties
Solubility7.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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