1H-Pyrazole, 1-methyl-3-(methylthio)-

HCID 145121

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Basic information

CAS: 87110-35-8
Standard SMILES: CSc1ccn(C)n1
InChIKey: CMQPKJXQCINBDD-UHFFFAOYSA-N
Molecular formula: C5H8N2S
Average molar mass: 128.2 g/mol
Monoisotopic mass: 128.04081944

Names & identifiers

Preferred name: 1H-Pyrazole, 1-methyl-3-(methylthio)-
IUPAC: 1-methyl-3-methylsulfanylpyrazole

Names & synonyms

87110-35-81-methyl-3-(methylsulfanyl)-1H-pyrazole1H-Pyrazole, 1-methyl-3-(methylthio)-1H-Pyrazole, 1-methyl-3-(methylthio)SCHEMBL11194902SCHEMBL11194907DTXSID70236137EN300-7443249

Database identifiers

CAS: 87110-35-8
PubChem CID: 145121
DTXSID: DTXSID70236137

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 76.8

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