2-diazenylsulfanylacetamide

C2H5N3OS — CID 174451264

IUPAC2-diazenylsulfanylacetamide
SMILES[H]/N=N/SCC(N)=O
InChIInChI=1S/C2H5N3OS/c3-2(6)1-7-5-4/h4H,1H2,(H2,3,6)/b5-4+
InChIKeyQMZNRDWCQWOQJN-SNAWJCMRSA-N
MW119.15 g/mol
LogP0.15
Rot. Bonds3

About 2-diazenylsulfanylacetamide

2-diazenylsulfanylacetamide (PubChem CID 174451264) has the molecular formula C2H5N3OS and a molecular weight of 119.15 g/mol. Its IUPAC name is 2-diazenylsulfanylacetamide.

Molecular Properties

Compound Name2-diazenylsulfanylacetamide
PubChem CID174451264
Molecular FormulaC2H5N3OS
Molecular Weight119.15 g/mol
Exact Mass119.02
IUPAC Name2-diazenylsulfanylacetamide
SMILES[H]/N=N/SCC(N)=O
InChIInChI=1S/C2H5N3OS/c3-2(6)1-7-5-4/h4H,1H2,(H2,3,6)/b5-4+
InChIKeyQMZNRDWCQWOQJN-SNAWJCMRSA-N
XLogP0.15
TPSA79.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.15
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-diazenylsulfanylacetamide?
The IUPAC name of 2-diazenylsulfanylacetamide (CID 174451264) is 2-diazenylsulfanylacetamide.
What is the SMILES notation for 2-diazenylsulfanylacetamide?
The canonical SMILES for 2-diazenylsulfanylacetamide is [H]/N=N/SCC(N)=O.
What is the InChIKey of 2-diazenylsulfanylacetamide?
The InChIKey is QMZNRDWCQWOQJN-SNAWJCMRSA-N. The full InChI is InChI=1S/C2H5N3OS/c3-2(6)1-7-5-4/h4H,1H2,(H2,3,6)/b5-4+.
What are the key properties of 2-diazenylsulfanylacetamide?
2-diazenylsulfanylacetamide has a molecular weight of 119.15 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazenylsulfanylacetamide is sourced from PubChem (CID 174451264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).