Basic information
- CAS
79208-64-3- Standard SMILES
Cn1ccc(=S)[nH]1- InChIKey
PNIUJDOZMFZIFN-UHFFFAOYSA-N- Molecular formula
- C4H6N2S
- Average molar mass
- 114.17 g/mol
- Monoisotopic mass
- 114.02516937
Names & identifiers
- Preferred name
- 3H-Pyrazole-3-thione, 1,2-dihydro-1-methyl-
- IUPAC
- 2-methyl-1H-pyrazole-5-thione
Names & synonyms
79208-64-33H-Pyrazole-3-thione, 1,2-dihydro-1-methyl-1-METHYL-1H-PYRAZOLE-3-THIOLDTXSID60229578RefChem:505815DTXCID10152069854-112-72-methyl-1H-pyrazole-5-thione1-Methyl-1,2-dihydro-3H-pyrazole-3-thione1-Methyl-2,3-dihydro-1H-pyrazole-3-thione1-Methyl-3-mercaptopyrazole1-methyl-1,2-dihydropyrazole-3-thione
Show more names
starbld00275833-mercapto-1-methylpyrazol3-mercapto-1-methylpyrazoleSCHEMBL2642448SCHEMBL2642451PNIUJDOZMFZIFN-UHFFFAOYSA-NAT15835DB-301424
Database identifiers
- CAS
79208-64-3- PubChem CID
- 3036403
- DTXSID
DTXSID60229578- EC Number
- 854-112-7
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 119
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
Danger
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P370+P378, P403, 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 CategoriesFlam. Liq. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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