methylsulfanyl(propan-2-yl)diazene

C4H10N2S — CID 126624303

IUPACmethylsulfanyl(propan-2-yl)diazene
SMILESCS/N=N/C(C)C
InChIInChI=1S/C4H10N2S/c1-4(2)5-6-7-3/h4H,1-3H3/b6-5+
InChIKeyOOINMMQVJNVFME-AATRIKPKSA-N
MW118.20 g/mol
LogP2.12
Rot. Bonds2

About methylsulfanyl(propan-2-yl)diazene

methylsulfanyl(propan-2-yl)diazene (PubChem CID 126624303) has the molecular formula C4H10N2S and a molecular weight of 118.20 g/mol. Its IUPAC name is methylsulfanyl(propan-2-yl)diazene.

Molecular Properties

Compound Namemethylsulfanyl(propan-2-yl)diazene
PubChem CID126624303
Molecular FormulaC4H10N2S
Molecular Weight118.20 g/mol
Exact Mass118.06
IUPAC Namemethylsulfanyl(propan-2-yl)diazene
SMILESCS/N=N/C(C)C
InChIInChI=1S/C4H10N2S/c1-4(2)5-6-7-3/h4H,1-3H3/b6-5+
InChIKeyOOINMMQVJNVFME-AATRIKPKSA-N
XLogP2.12
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 52.12
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 methylsulfanyl(propan-2-yl)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

ethenyl(methylsulfanyl)diazene
CID 123306990
CID 5462981
CID 5462981
propan-2-yl-[2-[2-(propan-2-yldiazenyl)propan-2-yloxy]propan-2-yl]diazene
CID 152749266
(NZ)-N-methylsulfanyliminomethanesulfinamide
CID 118283576
2-hydroperoxypropan-2-yl(propan-2-yl)diazene
CID 139110598
N-propan-2-yliminomethanesulfonimidic acid
CID 91026777
1-methylsulfanyl-1-nitrosoethane
CID 54571656
1-(1-silylethoxy)ethylsilane
CID 173140794
3-methyl-2-N-propan-2-ylbutane-1,2-diimine
CID 126601758
2-methyl(213C)propane
CID 11240418
1,2,3-tri(propan-2-yl)guanidine
CID 547015
4-methylsulfanyl-6-propan-2-ylimino-1,3-dihydrotriazin-2-amine
CID 137281586

Frequently Asked Questions

What is the IUPAC name of methylsulfanyl(propan-2-yl)diazene?
The IUPAC name of methylsulfanyl(propan-2-yl)diazene (CID 126624303) is methylsulfanyl(propan-2-yl)diazene.
What is the SMILES notation for methylsulfanyl(propan-2-yl)diazene?
The canonical SMILES for methylsulfanyl(propan-2-yl)diazene is CS/N=N/C(C)C.
What is the InChIKey of methylsulfanyl(propan-2-yl)diazene?
The InChIKey is OOINMMQVJNVFME-AATRIKPKSA-N. The full InChI is InChI=1S/C4H10N2S/c1-4(2)5-6-7-3/h4H,1-3H3/b6-5+.
What are the key properties of methylsulfanyl(propan-2-yl)diazene?
methylsulfanyl(propan-2-yl)diazene has a molecular weight of 118.20 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanyl(propan-2-yl)diazene is sourced from PubChem (CID 126624303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).