Basic information
- CAS
24086-27-9- Standard SMILES
Cc1nn(-c2ccccc2)c2sc(C(=O)O)cc12- InChIKey
KIBNFCSPPOYXPP-UHFFFAOYSA-N- Molecular formula
- C13H10N2O2S
- Average molar mass
- 258.3 g/mol
- Monoisotopic mass
- 258.04629874
Names & identifiers
- Preferred name
- 3-methyl-1-phenyl-1H-thieno(2,3-c)pyrazole-5-carboxylic acid
- IUPAC
- 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylic acid
- English name
- 3-Methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid
- Molecular formula
- C13H10N2O2S
- Molecular weight
- 258.3
Names & synonyms
3-Methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid3-methyl-1-phenyl-1H-thieno(2,3-c)pyrazole-5-carboxylic acidRefChem:503500858-383-224086-27-9MFCD012449913-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylic acidSMR000071493MLS0000997193-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic acid1-phenyl-3-methyl-1h-thieno[2,3-c]pyrazole-5-carboxylic acid3-Methyl-1-phenyl-1H-thieno-[2,3-c]pyrazole-5-carboxylic acid
Show more names
3-methyl-1-phenyl-5-thieno[4,5-d]pyrazolecarboxylic acid3-methyl-1-phenylthieno[4,5-d]pyrazole-5-carboxylic acid3-methyl-1-phenyl-thieno[4,5-d]pyrazole-5-carboxylic acid1H-Thieno[2,3-c]pyrazole-5-carboxylicacid, 3-Methyl-1-phenyl-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid(SALTDATA: FREE)
1H-Thieno[2,3-c]pyrazole-5-carboxylic acid, 3-methyl-1-phenyl-Enamine_000956Oprea1_757630Oprea1_766318SCHEMBL853240cid_802154CHEMBL1372488REGID_for_CID_802154
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 311 · H311-H302-H315-H319-H227
- Precautionary statements
- 501 · P501-P270-P210-P264-P280-P370+P378-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P312+P330-P302+P352+P312-P403+P235-P405
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H311-H302-H315-H319-H227
- Precautionary statements
- P501-P270-P210-P264-P280-P370+P378-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P312+P330-P302+P352+P312-P403+P235-P405
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers14 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海康恩博科技有限公司（科小研试剂）400-1388-521 17673770086 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
济宁一泽医药科技有限公司15192473210 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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