2-sulfanyl-3,4-dihydropyrazole

C3H6N2S — CID 22165190

IUPAC2-sulfanyl-3,4-dihydropyrazole
SMILESSN1CCC=N1
InChIInChI=1S/C3H6N2S/c6-5-3-1-2-4-5/h2,6H,1,3H2
InChIKeyHPDHUSGKSRFCMZ-UHFFFAOYSA-N
MW102.16 g/mol
LogP0.52
Rot. Bonds

About 2-sulfanyl-3,4-dihydropyrazole

2-sulfanyl-3,4-dihydropyrazole (PubChem CID 22165190) has the molecular formula C3H6N2S and a molecular weight of 102.16 g/mol. Its IUPAC name is 2-sulfanyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-sulfanyl-3,4-dihydropyrazole
PubChem CID22165190
Molecular FormulaC3H6N2S
Molecular Weight102.16 g/mol
Exact Mass102.03
IUPAC Name2-sulfanyl-3,4-dihydropyrazole
SMILESSN1CCC=N1
InChIInChI=1S/C3H6N2S/c6-5-3-1-2-4-5/h2,6H,1,3H2
InChIKeyHPDHUSGKSRFCMZ-UHFFFAOYSA-N
XLogP0.52
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.16
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-sulfanyl-3,4-dihydropyrazole?
The IUPAC name of 2-sulfanyl-3,4-dihydropyrazole (CID 22165190) is 2-sulfanyl-3,4-dihydropyrazole.
What is the SMILES notation for 2-sulfanyl-3,4-dihydropyrazole?
The canonical SMILES for 2-sulfanyl-3,4-dihydropyrazole is SN1CCC=N1.
What is the InChIKey of 2-sulfanyl-3,4-dihydropyrazole?
The InChIKey is HPDHUSGKSRFCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2S/c6-5-3-1-2-4-5/h2,6H,1,3H2.
What are the key properties of 2-sulfanyl-3,4-dihydropyrazole?
2-sulfanyl-3,4-dihydropyrazole has a molecular weight of 102.16 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyl-3,4-dihydropyrazole is sourced from PubChem (CID 22165190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).