1-sulfanyltriazole

C2H3N3S — CID 18186100

IUPAC1-sulfanyltriazole
SMILESSn1ccnn1
InChIInChI=1S/C2H3N3S/c6-5-2-1-3-4-5/h1-2,6H
InChIKeyMACMNSLOLFMQKL-UHFFFAOYSA-N
MW101.13 g/mol
LogP-0.03
Rot. Bonds

About 1-sulfanyltriazole

1-sulfanyltriazole (PubChem CID 18186100) has the molecular formula C2H3N3S and a molecular weight of 101.13 g/mol. Its IUPAC name is 1-sulfanyltriazole.

Molecular Properties

Compound Name1-sulfanyltriazole
PubChem CID18186100
Molecular FormulaC2H3N3S
Molecular Weight101.13 g/mol
Exact Mass101.00
IUPAC Name1-sulfanyltriazole
SMILESSn1ccnn1
InChIInChI=1S/C2H3N3S/c6-5-2-1-3-4-5/h1-2,6H
InChIKeyMACMNSLOLFMQKL-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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Related Compounds

1H-1,2,3-Triazole
CID 67516
2-Methyl-1,2,3-triazole
CID 140449
1,2,5-Thiadiazole
CID 559537
1H-1,2,3-Triazol-1-amine
CID 3825723
1-Hydroxy-1,2,3-triazole
CID 10877052
Azido-triazole-fluoride
CID 129717263
1,2,3-Triazole 2-oxide
CID 6453975
Triazole-2-thiol
CID 18177259
Methylsulfanyl-1h-1,2,3-triazole
CID 18425869
2-Chlorotriazole
CID 20152680
1,3-Diaza-2-azanidacyclopenta-3,5-diene
CID 20248821
Triazole hydrochloride
CID 22133982

Frequently Asked Questions

What is the IUPAC name of 1-sulfanyltriazole?
The IUPAC name of 1-sulfanyltriazole (CID 18186100) is 1-sulfanyltriazole.
What is the SMILES notation for 1-sulfanyltriazole?
The canonical SMILES for 1-sulfanyltriazole is Sn1ccnn1.
What is the InChIKey of 1-sulfanyltriazole?
The InChIKey is MACMNSLOLFMQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N3S/c6-5-2-1-3-4-5/h1-2,6H.
What are the key properties of 1-sulfanyltriazole?
1-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 1-sulfanyltriazole is sourced from PubChem (CID 18186100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).