2-sulfanyltriazole

C2H3N3S — CID 18177259

IUPAC2-sulfanyltriazole
SMILESSn1nccn1
InChIInChI=1S/C2H3N3S/c6-5-3-1-2-4-5/h1-2,6H
InChIKeyNRENOZNSHMLGOF-UHFFFAOYSA-N
MW101.13 g/mol
LogP-0.03
Rot. Bonds

About 2-sulfanyltriazole

2-sulfanyltriazole (PubChem CID 18177259) has the molecular formula C2H3N3S and a molecular weight of 101.13 g/mol. Its IUPAC name is 2-sulfanyltriazole.

Molecular Properties

Compound Name2-sulfanyltriazole
PubChem CID18177259
Molecular FormulaC2H3N3S
Molecular Weight101.13 g/mol
Exact Mass101.00
IUPAC Name2-sulfanyltriazole
SMILESSn1nccn1
InChIInChI=1S/C2H3N3S/c6-5-3-1-2-4-5/h1-2,6H
InChIKeyNRENOZNSHMLGOF-UHFFFAOYSA-N
XLogP-0.03
TPSA30.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.13
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-sulfanyltriazole?
The IUPAC name of 2-sulfanyltriazole (CID 18177259) is 2-sulfanyltriazole.
What is the SMILES notation for 2-sulfanyltriazole?
The canonical SMILES for 2-sulfanyltriazole is Sn1nccn1.
What is the InChIKey of 2-sulfanyltriazole?
The InChIKey is NRENOZNSHMLGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N3S/c6-5-3-1-2-4-5/h1-2,6H.
What are the key properties of 2-sulfanyltriazole?
2-sulfanyltriazole has a molecular weight of 101.13 g/mol, XLogP of -0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyltriazole is sourced from PubChem (CID 18177259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).