S-(4,5-dihydro-1,3-thiazol-2-yl) 3-methoxybenzenecarbothioate
Basic information
- CAS
324056-35-1- Standard SMILES
COc1cccc(C(=O)SC2=NCCS2)c1- InChIKey
HOOLCCAUAXCYCX-UHFFFAOYSA-N- Molecular formula
- C11H11NO2S2
- Average molar mass
- 253.3 g/mol
- Monoisotopic mass
- 253.02312094
Names & identifiers
- Preferred name
- S-(4,5-dihydro-1,3-thiazol-2-yl) 3-methoxybenzenecarbothioate
- IUPAC
- S-(4,5-dihydro-1,3-thiazol-2-yl) 3-methoxybenzenecarbothioate
Names & synonyms
MLS000035745S-(4,5-dihydro-1,3-thiazol-2-yl) 3-methoxybenzenecarbothioate3-Methoxy-thiobenzoic acid S-(4,5-dihydro-thiazol-2-yl) esterSMR000011824Oprea1_298262Oprea1_877594cid_651206IFLab1_004222CHEMBL1543723BDBM55981HMS1423P20HMS2487E19
Show more names
AKOS000530478EU-0073088ST501013323-methoxyphenyl 1,3-thiazolin-2-ylthio ketoneAG-690/12402045SR-01000446755SR-01000446755-13-methoxythiobenzoic acid S-(2-thiazolin-2-yl) ester
Database identifiers
- CAS
324056-35-1- PubChem CID
- 651206
- ChEMBL
CHEMBL1543723- EC Number
- 162-036-4
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 294
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Related reactions
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Compound notes
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