2-sulfanylacetamide;1H-1,2,4-triazole

C4H8N4OS — CID 174624045

IUPAC2-sulfanylacetamide;1H-1,2,4-triazole
SMILESNC(=O)CS.c1nc[nH]n1
InChIInChI=1S/C2H3N3.C2H5NOS/c1-3-2-5-4-1;3-2(4)1-5/h1-2H,(H,3,4,5);5H,1H2,(H2,3,4)
InChIKeyBZIVJFWVABDSOK-UHFFFAOYSA-N
MW160.20 g/mol
LogP-0.79
Rot. Bonds1

About 2-sulfanylacetamide;1H-1,2,4-triazole

2-sulfanylacetamide;1H-1,2,4-triazole (PubChem CID 174624045) has the molecular formula C4H8N4OS and a molecular weight of 160.20 g/mol. Its IUPAC name is 2-sulfanylacetamide;1H-1,2,4-triazole.

Molecular Properties

Compound Name2-sulfanylacetamide;1H-1,2,4-triazole
PubChem CID174624045
Molecular FormulaC4H8N4OS
Molecular Weight160.20 g/mol
Exact Mass160.04
IUPAC Name2-sulfanylacetamide;1H-1,2,4-triazole
SMILESNC(=O)CS.c1nc[nH]n1
InChIInChI=1S/C2H3N3.C2H5NOS/c1-3-2-5-4-1;3-2(4)1-5/h1-2H,(H,3,4,5);5H,1H2,(H2,3,4)
InChIKeyBZIVJFWVABDSOK-UHFFFAOYSA-N
XLogP-0.79
TPSA84.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
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-sulfanylacetamide;1H-1,2,4-triazole?
The IUPAC name of 2-sulfanylacetamide;1H-1,2,4-triazole (CID 174624045) is 2-sulfanylacetamide;1H-1,2,4-triazole.
What is the SMILES notation for 2-sulfanylacetamide;1H-1,2,4-triazole?
The canonical SMILES for 2-sulfanylacetamide;1H-1,2,4-triazole is NC(=O)CS.c1nc[nH]n1.
What is the InChIKey of 2-sulfanylacetamide;1H-1,2,4-triazole?
The InChIKey is BZIVJFWVABDSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N3.C2H5NOS/c1-3-2-5-4-1;3-2(4)1-5/h1-2H,(H,3,4,5);5H,1H2,(H2,3,4).
What are the key properties of 2-sulfanylacetamide;1H-1,2,4-triazole?
2-sulfanylacetamide;1H-1,2,4-triazole has a molecular weight of 160.20 g/mol, XLogP of -0.79, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylacetamide;1H-1,2,4-triazole is sourced from PubChem (CID 174624045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).