ethane;4-methyl-1,2-dihydropyrazole-3-thione

C6H12N2S — CID 143769274

IUPACethane;4-methyl-1,2-dihydropyrazole-3-thione
SMILESCC.Cc1c[nH][nH]c1=S
InChIInChI=1S/C4H6N2S.C2H6/c1-3-2-5-6-4(3)7;1-2/h2H,1H3,(H2,5,6,7);1-2H3
InChIKeyNBZAXNOBNDUUDM-UHFFFAOYSA-N
MW144.24 g/mol
LogP2.41
Rot. Bonds

About ethane;4-methyl-1,2-dihydropyrazole-3-thione

ethane;4-methyl-1,2-dihydropyrazole-3-thione (PubChem CID 143769274) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is ethane;4-methyl-1,2-dihydropyrazole-3-thione.

Molecular Properties

Compound Nameethane;4-methyl-1,2-dihydropyrazole-3-thione
PubChem CID143769274
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC Nameethane;4-methyl-1,2-dihydropyrazole-3-thione
SMILESCC.Cc1c[nH][nH]c1=S
InChIInChI=1S/C4H6N2S.C2H6/c1-3-2-5-6-4(3)7;1-2/h2H,1H3,(H2,5,6,7);1-2H3
InChIKeyNBZAXNOBNDUUDM-UHFFFAOYSA-N
XLogP2.41
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 ethane;4-methyl-1,2-dihydropyrazole-3-thione?
The IUPAC name of ethane;4-methyl-1,2-dihydropyrazole-3-thione (CID 143769274) is ethane;4-methyl-1,2-dihydropyrazole-3-thione.
What is the SMILES notation for ethane;4-methyl-1,2-dihydropyrazole-3-thione?
The canonical SMILES for ethane;4-methyl-1,2-dihydropyrazole-3-thione is CC.Cc1c[nH][nH]c1=S.
What is the InChIKey of ethane;4-methyl-1,2-dihydropyrazole-3-thione?
The InChIKey is NBZAXNOBNDUUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S.C2H6/c1-3-2-5-6-4(3)7;1-2/h2H,1H3,(H2,5,6,7);1-2H3.
What are the key properties of ethane;4-methyl-1,2-dihydropyrazole-3-thione?
ethane;4-methyl-1,2-dihydropyrazole-3-thione has a molecular weight of 144.24 g/mol, XLogP of 2.41, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1,2-dihydropyrazole-3-thione is sourced from PubChem (CID 143769274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).