4-methyl-5-sulfanyl-1,2-dihydropyrazole-3-thione

C4H6N2S2 — CID 144933188

IUPAC4-methyl-5-sulfanyl-1,2-dihydropyrazole-3-thione
SMILESCc1c(S)[nH][nH]c1=S
InChIInChI=1S/C4H6N2S2/c1-2-3(7)5-6-4(2)8/h1H3,(H3,5,6,7,8)
InChIKeyDBRYLTWHPUIVAF-UHFFFAOYSA-N
MW146.24 g/mol
LogP1.67
Rot. Bonds

About 4-methyl-5-sulfanyl-1,2-dihydropyrazole-3-thione

4-methyl-5-sulfanyl-1,2-dihydropyrazole-3-thione (PubChem CID 144933188) has the molecular formula C4H6N2S2 and a molecular weight of 146.24 g/mol. Its IUPAC name is 4-methyl-5-sulfanyl-1,2-dihydropyrazole-3-thione.

Molecular Properties

Compound Name4-methyl-5-sulfanyl-1,2-dihydropyrazole-3-thione
PubChem CID144933188
Molecular FormulaC4H6N2S2
Molecular Weight146.24 g/mol
Exact Mass146.00
IUPAC Name4-methyl-5-sulfanyl-1,2-dihydropyrazole-3-thione
SMILESCc1c(S)[nH][nH]c1=S
InChIInChI=1S/C4H6N2S2/c1-2-3(7)5-6-4(2)8/h1H3,(H3,5,6,7,8)
InChIKeyDBRYLTWHPUIVAF-UHFFFAOYSA-N
XLogP1.67
TPSA31.58 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.24
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-sulfanyl-1,2-dihydropyrazole-3-thione?
The IUPAC name of 4-methyl-5-sulfanyl-1,2-dihydropyrazole-3-thione (CID 144933188) is 4-methyl-5-sulfanyl-1,2-dihydropyrazole-3-thione.
What is the SMILES notation for 4-methyl-5-sulfanyl-1,2-dihydropyrazole-3-thione?
The canonical SMILES for 4-methyl-5-sulfanyl-1,2-dihydropyrazole-3-thione is Cc1c(S)[nH][nH]c1=S.
What is the InChIKey of 4-methyl-5-sulfanyl-1,2-dihydropyrazole-3-thione?
The InChIKey is DBRYLTWHPUIVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S2/c1-2-3(7)5-6-4(2)8/h1H3,(H3,5,6,7,8).
What are the key properties of 4-methyl-5-sulfanyl-1,2-dihydropyrazole-3-thione?
4-methyl-5-sulfanyl-1,2-dihydropyrazole-3-thione has a molecular weight of 146.24 g/mol, XLogP of 1.67, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-sulfanyl-1,2-dihydropyrazole-3-thione is sourced from PubChem (CID 144933188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).