Basic information
- CAS
24086-28-0- Standard SMILES
COC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1- InChIKey
YVCXWEOHTQHCQS-UHFFFAOYSA-N- Molecular formula
- C14H12N2O2S
- Average molar mass
- 272.32 g/mol
- Monoisotopic mass
- 272.0619488
Names & identifiers
- Preferred name
- Methyl 3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylate
- IUPAC
- methyl 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
- English name
- methyl 3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylate
- Molecular formula
- C14H12N2O2S
- Molecular weight
- 272.32
Names & synonyms
methyl 3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylate24086-28-0METHYL 3-METHYL-1-PHENYL-1H-THIENO(2,3-C)PYRAZOLE-5-CARBOXYLATERefChem:355094methyl 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylateYVCXWEOHTQHCQS-UHFFFAOYSA-NSMR000009121ChemDiv3_0040593-Methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid methyl esterMLS000070292CHEMBL1390430DTXSID301174285
Show more names
1H-Thieno[2,3-c]pyrazole-5-carboxylic acid, 3-methyl-1-phenyl-, methyl ester
HMS1484I11HMS2302G19STK838498AKOS000348873CCG-113203IDI1_021969NCGC00027816-02AS-85022
Database identifiers
- CAS
24086-28-0- PubChem CID
- 652252
- DTXSID
DTXSID301174285- ChEMBL
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 72.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Boiling point
- 360.9 · 360.9±42.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- -0.54 · -0.54±0.40(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Chemistry & industry
Suppliers1 total
南京克罗托鲁宁医药科技有限公司13382066392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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