Basic information
- CAS
23615-60-3- Standard SMILES
Cc1cc(C)n(-c2nc3ccccc3s2)n1- InChIKey
QIVHQZNEFYWQJH-UHFFFAOYSA-N- Molecular formula
- C12H11N3S
- Average molar mass
- 229.3 g/mol
- Monoisotopic mass
- 229.06736854
Names & identifiers
- Preferred name
- 2-(3,5-Dimethyl-1H-pyrazol-1-yl)benzothiazole
- IUPAC
- 2-(3,5-dimethylpyrazol-1-yl)-1,3-benzothiazole
- English name
- 2-(3,5-Dimethyl-1H-pyrazol-1-yl)benzothiazole
- Molecular formula
- C12H11N3S
- Molecular weight
- 229.3
Names & synonyms
23615-60-32-(3,5-Dimethyl-1H-pyrazol-1-yl)benzothiazoleBENZOTHIAZOLE, 2-(3,5-DIMETHYL-1-PYRAZOLYL)-DTXSID30178286RefChem:1061026DTXCID601007772-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-benzothiazole2-(3,5-dimethylpyrazol-1-yl)-1,3-benzothiazole2-(3,5-dimethyl-1H-pyrazol-1-yl)benzo[d]thiazole2-(3,5-dimethylpyrazolyl)benzothiazoleBRN 05275051-Benzothiazolyl-3,5-dimethylpyrazole
Show more names
Benzothiazole, 2-(3,5-dimethyl-1H-pyrazol-1-yl)-
2-(3,5-Dimethyl-1-pyrazolyl)benzothiazoleMFCD00099325Cambridge id 5311651MLS000708865F0906-6277CHEMBL1597822QIVHQZNEFYWQJH-UHFFFAOYSA-HMS2601G20
Database identifiers
- CAS
23615-60-3- PubChem CID
- 32030
- DTXSID
DTXSID30178286- ChEMBL
CHEMBL1597822- EC Number
- 140-093-6
- Nikkaji
- J65.925H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 261
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]
P264, P270, P273, P301+P317, P330, 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%)
Chemistry & industry
Suppliers1 total
泰州同新生物医药科技有限公司0523-86818997 18652728585 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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