sulfane;2H-triazole

C2H7N3S2 — CID 155277747

IUPACsulfane;2H-triazole
SMILESS.S.c1cn[nH]n1
InChIInChI=1S/C2H3N3.2H2S/c1-2-4-5-3-1;;/h1-2H,(H,3,4,5);2*1H2
InChIKeyGCYPZQBTXCYJCH-UHFFFAOYSA-N
MW137.23 g/mol
LogP0.03
Rot. Bonds

About sulfane;2H-triazole

sulfane;2H-triazole (PubChem CID 155277747) has the molecular formula C2H7N3S2 and a molecular weight of 137.23 g/mol. Its IUPAC name is sulfane;2H-triazole.

Molecular Properties

Compound Namesulfane;2H-triazole
PubChem CID155277747
Molecular FormulaC2H7N3S2
Molecular Weight137.23 g/mol
Exact Mass137.01
IUPAC Namesulfane;2H-triazole
SMILESS.S.c1cn[nH]n1
InChIInChI=1S/C2H3N3.2H2S/c1-2-4-5-3-1;;/h1-2H,(H,3,4,5);2*1H2
InChIKeyGCYPZQBTXCYJCH-UHFFFAOYSA-N
XLogP0.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sulfane;2H-triazole?
The IUPAC name of sulfane;2H-triazole (CID 155277747) is sulfane;2H-triazole.
What is the SMILES notation for sulfane;2H-triazole?
The canonical SMILES for sulfane;2H-triazole is S.S.c1cn[nH]n1.
What is the InChIKey of sulfane;2H-triazole?
The InChIKey is GCYPZQBTXCYJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N3.2H2S/c1-2-4-5-3-1;;/h1-2H,(H,3,4,5);2*1H2.
What are the key properties of sulfane;2H-triazole?
sulfane;2H-triazole has a molecular weight of 137.23 g/mol, XLogP of 0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfane;2H-triazole is sourced from PubChem (CID 155277747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).