Basic information
- CAS
320718-88-5- Standard SMILES
O=c1cc(-c2cccs2)[nH][nH]1- InChIKey
BLTOVFJWWASIKT-UHFFFAOYSA-N- Molecular formula
- C7H6N2OS
- Average molar mass
- 166.2 g/mol
- Monoisotopic mass
- 166.02008399
Names & identifiers
- Preferred name
- 3-(thiophen-2-yl)-1H-pyrazol-5-ol
- IUPAC
- 5-thiophen-2-yl-1,2-dihydropyrazol-3-one
Names & synonyms
3-(thiophen-2-yl)-1H-pyrazol-5-ol320718-88-5RefChem:496254979-714-8TimTec1_0025503-(2-thienyl)pyrazol-5-ol5-(Thiophen-2-yl)-1,2-dihydro-3H-pyrazol-3-oneSCHEMBL64120055-Hydroxy-3-(2-thienyl)pyrazoleHMS1541D205-Thiophen-2-yl-2H-pyrazol-3-olAKOS004114753
Show more names
3-(2-Thienyl)-1H-pyrazol-5-ol #ST038463SR-01000535215SR-01000535215-1
Database identifiers
- CAS
320718-88-5- PubChem CID
- 597153
- EC Number
- 979-714-8
- Nikkaji
- J1.734.779I
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 214
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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