2,3-dimethyl-1H-pyrazole-5-thione

C5H8N2S — CID 21494147

IUPAC2,3-dimethyl-1H-pyrazole-5-thione
SMILESCc1cc(=S)[nH]n1C
InChIInChI=1S/C5H8N2S/c1-4-3-5(8)6-7(4)2/h3H,1-2H3,(H,6,8)
InChIKeyCFGZJTZUXMCKFC-UHFFFAOYSA-N
MW128.20 g/mol
LogP1.39
Rot. Bonds

About 2,3-dimethyl-1H-pyrazole-5-thione

2,3-dimethyl-1H-pyrazole-5-thione (PubChem CID 21494147) has the molecular formula C5H8N2S and a molecular weight of 128.20 g/mol. Its IUPAC name is 2,3-dimethyl-1H-pyrazole-5-thione.

Molecular Properties

Compound Name2,3-dimethyl-1H-pyrazole-5-thione
PubChem CID21494147
Molecular FormulaC5H8N2S
Molecular Weight128.20 g/mol
Exact Mass128.04
IUPAC Name2,3-dimethyl-1H-pyrazole-5-thione
SMILESCc1cc(=S)[nH]n1C
InChIInChI=1S/C5H8N2S/c1-4-3-5(8)6-7(4)2/h3H,1-2H3,(H,6,8)
InChIKeyCFGZJTZUXMCKFC-UHFFFAOYSA-N
XLogP1.39
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1H-pyrazole-5-thione?
The IUPAC name of 2,3-dimethyl-1H-pyrazole-5-thione (CID 21494147) is 2,3-dimethyl-1H-pyrazole-5-thione.
What is the SMILES notation for 2,3-dimethyl-1H-pyrazole-5-thione?
The canonical SMILES for 2,3-dimethyl-1H-pyrazole-5-thione is Cc1cc(=S)[nH]n1C.
What is the InChIKey of 2,3-dimethyl-1H-pyrazole-5-thione?
The InChIKey is CFGZJTZUXMCKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S/c1-4-3-5(8)6-7(4)2/h3H,1-2H3,(H,6,8).
What are the key properties of 2,3-dimethyl-1H-pyrazole-5-thione?
2,3-dimethyl-1H-pyrazole-5-thione has a molecular weight of 128.20 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1H-pyrazole-5-thione is sourced from PubChem (CID 21494147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).