methane;5-phenyl-1H-pyrazole-4-thiol

C10H12N2S — CID 143880093

IUPACmethane;5-phenyl-1H-pyrazole-4-thiol
SMILESC.Sc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C9H8N2S.CH4/c12-8-6-10-11-9(8)7-4-2-1-3-5-7;/h1-6,12H,(H,10,11);1H4
InChIKeyKMUQWGJBMCHLKF-UHFFFAOYSA-N
MW192.29 g/mol
LogP3.00
Rot. Bonds1

About methane;5-phenyl-1H-pyrazole-4-thiol

methane;5-phenyl-1H-pyrazole-4-thiol (PubChem CID 143880093) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is methane;5-phenyl-1H-pyrazole-4-thiol.

Molecular Properties

Compound Namemethane;5-phenyl-1H-pyrazole-4-thiol
PubChem CID143880093
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Namemethane;5-phenyl-1H-pyrazole-4-thiol
SMILESC.Sc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C9H8N2S.CH4/c12-8-6-10-11-9(8)7-4-2-1-3-5-7;/h1-6,12H,(H,10,11);1H4
InChIKeyKMUQWGJBMCHLKF-UHFFFAOYSA-N
XLogP3.00
TPSA28.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methane;5-phenyl-1H-pyrazole-4-thiol?
The IUPAC name of methane;5-phenyl-1H-pyrazole-4-thiol (CID 143880093) is methane;5-phenyl-1H-pyrazole-4-thiol.
What is the SMILES notation for methane;5-phenyl-1H-pyrazole-4-thiol?
The canonical SMILES for methane;5-phenyl-1H-pyrazole-4-thiol is C.Sc1cn[nH]c1-c1ccccc1.
What is the InChIKey of methane;5-phenyl-1H-pyrazole-4-thiol?
The InChIKey is KMUQWGJBMCHLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S.CH4/c12-8-6-10-11-9(8)7-4-2-1-3-5-7;/h1-6,12H,(H,10,11);1H4.
What are the key properties of methane;5-phenyl-1H-pyrazole-4-thiol?
methane;5-phenyl-1H-pyrazole-4-thiol has a molecular weight of 192.29 g/mol, XLogP of 3.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-phenyl-1H-pyrazole-4-thiol is sourced from PubChem (CID 143880093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).