S-(4,5-dihydro-1,3-thiazol-2-yl) 4-methoxybenzenecarbothioate
Basic information
- CAS
324056-28-2- Standard SMILES
COc1ccc(C(=O)SC2=NCCS2)cc1- InChIKey
MXMFOQSQHFGSNC-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) 4-methoxybenzenecarbothioate
- IUPAC
- S-(4,5-dihydro-1,3-thiazol-2-yl) 4-methoxybenzenecarbothioate
Names & synonyms
S-(4,5-dihydro-1,3-thiazol-2-yl) 4-methoxybenzenecarbothioateMLS000526285CBMicro_030792CHEMBL1608268HMS1674B14HMS2487O134-Methoxy-thiobenzoic acid S-(4,5-dihydro-thiazol-2-yl) esterAKOS000530457SMR000116759BIM-0031018.P001UPCMLD0ENAT0504-4707:001EU-0039831
Show more names
ST501013314-methoxyphenyl 1,3-thiazolin-2-ylthio ketoneAG-690/12402044SR-01000446754SR-01000446754-1Z56794724
Database identifiers
- CAS
324056-28-2- PubChem CID
- 737532
- ChEMBL
CHEMBL1608268- EC Number
- 162-356-4
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
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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