ethenyl(methylsulfanyl)diazene

C3H6N2S — CID 123306990

IUPACethenyl(methylsulfanyl)diazene
SMILESC=C/N=N/SC
InChIInChI=1S/C3H6N2S/c1-3-4-5-6-2/h3H,1H2,2H3/b5-4+
InChIKeyYQNCQTJATDYYKU-SNAWJCMRSA-N
MW102.16 g/mol
LogP1.86
Rot. Bonds2

About ethenyl(methylsulfanyl)diazene

ethenyl(methylsulfanyl)diazene (PubChem CID 123306990) has the molecular formula C3H6N2S and a molecular weight of 102.16 g/mol. Its IUPAC name is ethenyl(methylsulfanyl)diazene.

Molecular Properties

Compound Nameethenyl(methylsulfanyl)diazene
PubChem CID123306990
Molecular FormulaC3H6N2S
Molecular Weight102.16 g/mol
Exact Mass102.03
IUPAC Nameethenyl(methylsulfanyl)diazene
SMILESC=C/N=N/SC
InChIInChI=1S/C3H6N2S/c1-3-4-5-6-2/h3H,1H2,2H3/b5-4+
InChIKeyYQNCQTJATDYYKU-SNAWJCMRSA-N
XLogP1.86
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.16
LogP ≤ 51.86
H-Bond Donors ≤ 50
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': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethenyl(methylsulfanyl)diazene 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

N-(ethenyldiazenyl)sulfanylmethanamine
CID 88969932
tert-butyl(ethenyl)diazene
CID 22726336
(1E)-N-methylsulfanylprop-2-enimidoyl bromide
CID 155717600
methylsulfanyl(propan-2-yl)diazene
CID 126624303
O-(ethenyldiazenyl)hydroxylamine
CID 91344776
(NZ)-N-methylsulfanyliminomethanesulfinamide
CID 118283576
methylsulfanyloxyethene
CID 57280562
N-methylsulfanylethenamine
CID 166090975
butyl(ethenyl)diazene
CID 89391777
methylamino N-ethenylmethanimidothioate
CID 129192244
prop-1-ene
CID 162178440
2-ethenyl-1,3-bis(methylsulfanyl)benzene
CID 54025667

Frequently Asked Questions

What is the IUPAC name of ethenyl(methylsulfanyl)diazene?
The IUPAC name of ethenyl(methylsulfanyl)diazene (CID 123306990) is ethenyl(methylsulfanyl)diazene.
What is the SMILES notation for ethenyl(methylsulfanyl)diazene?
The canonical SMILES for ethenyl(methylsulfanyl)diazene is C=C/N=N/SC.
What is the InChIKey of ethenyl(methylsulfanyl)diazene?
The InChIKey is YQNCQTJATDYYKU-SNAWJCMRSA-N. The full InChI is InChI=1S/C3H6N2S/c1-3-4-5-6-2/h3H,1H2,2H3/b5-4+.
What are the key properties of ethenyl(methylsulfanyl)diazene?
ethenyl(methylsulfanyl)diazene has a molecular weight of 102.16 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl(methylsulfanyl)diazene is sourced from PubChem (CID 123306990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).