1-diazenylethanethiol

C2H6N2S — CID 173486196

IUPAC1-diazenylethanethiol
SMILES[H]/N=N/C(C)S
InChIInChI=1S/C2H6N2S/c1-2(5)4-3/h2-3,5H,1H3/b4-3+
InChIKeyIDJTUVWQMBHBJC-ONEGZZNKSA-N
MW90.15 g/mol
LogP1.29
Rot. Bonds1

About 1-diazenylethanethiol

1-diazenylethanethiol (PubChem CID 173486196) has the molecular formula C2H6N2S and a molecular weight of 90.15 g/mol. Its IUPAC name is 1-diazenylethanethiol.

Molecular Properties

Compound Name1-diazenylethanethiol
PubChem CID173486196
Molecular FormulaC2H6N2S
Molecular Weight90.15 g/mol
Exact Mass90.03
IUPAC Name1-diazenylethanethiol
SMILES[H]/N=N/C(C)S
InChIInChI=1S/C2H6N2S/c1-2(5)4-3/h2-3,5H,1H3/b4-3+
InChIKeyIDJTUVWQMBHBJC-ONEGZZNKSA-N
XLogP1.29
TPSA36.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.15
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-diazenylethanethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-diazenyl-2-methylpropyl)diazene
CID 57086976
2-diazenylpropanoic acid
CID 54345644
(3S)-3-diazenylbutan-2-imine
CID 163736167
(2S)-2-diazenylpropanamide
CID 88574681
2-diazenyl-N-propan-2-ylpropan-1-amine
CID 157144280
[(1R)-1-phenylethyl]diazene
CID 778700
1-nitrosoethanethiol
CID 173133459
1-(3,4,5-trimethylphenyl)ethyldiazene
CID 89185904
1,1-diphenylpropan-2-yldiazene
CID 175433981
1-(3,5-difluorophenyl)ethyldiazene
CID 91557138
2-diazenylbutane-1,4-dithiol
CID 166589969
nonan-5-yldiazene
CID 123930065

Frequently Asked Questions

What is the IUPAC name of 1-diazenylethanethiol?
The IUPAC name of 1-diazenylethanethiol (CID 173486196) is 1-diazenylethanethiol.
What is the SMILES notation for 1-diazenylethanethiol?
The canonical SMILES for 1-diazenylethanethiol is [H]/N=N/C(C)S.
What is the InChIKey of 1-diazenylethanethiol?
The InChIKey is IDJTUVWQMBHBJC-ONEGZZNKSA-N. The full InChI is InChI=1S/C2H6N2S/c1-2(5)4-3/h2-3,5H,1H3/b4-3+.
What are the key properties of 1-diazenylethanethiol?
1-diazenylethanethiol has a molecular weight of 90.15 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diazenylethanethiol is sourced from PubChem (CID 173486196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).