1-(propan-2-yldisulfanyl)hexane

C9H20S2 — CID 536197

IUPAC1-(propan-2-yldisulfanyl)hexane
SMILESCCCCCCSSC(C)C
InChIInChI=1S/C9H20S2/c1-4-5-6-7-8-10-11-9(2)3/h9H,4-8H2,1-3H3
InChIKeyAWBYCNHUVZRSGU-UHFFFAOYSA-N
MW192.39 g/mol
LogP4.36
Rot. Bonds7

About 1-(propan-2-yldisulfanyl)hexane

1-(propan-2-yldisulfanyl)hexane (PubChem CID 536197) has the molecular formula C9H20S2 and a molecular weight of 192.39 g/mol. Its IUPAC name is 1-(propan-2-yldisulfanyl)hexane.

Molecular Properties

Compound Name1-(propan-2-yldisulfanyl)hexane
PubChem CID536197
Molecular FormulaC9H20S2
Molecular Weight192.39 g/mol
Exact Mass192.10
IUPAC Name1-(propan-2-yldisulfanyl)hexane
SMILESCCCCCCSSC(C)C
InChIInChI=1S/C9H20S2/c1-4-5-6-7-8-10-11-9(2)3/h9H,4-8H2,1-3H3
InChIKeyAWBYCNHUVZRSGU-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.39
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

Analyze 1-(propan-2-yldisulfanyl)hexane 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-(hexyltrisulfanyl)octadecane
CID 140815608
11-(octyldisulfanyl)dodecan-1-amine
CID 89196568
1-(hexyldisulfanyl)ethylcyclohexane
CID 118070755
1-(dodecylhexasulfanyl)dodecane
CID 139607418
1-(octadecylhexasulfanyl)octadecane
CID 54412885
1-(butyltrisulfanyl)octane
CID 141156696
1-(hydroxydisulfanyl)hexadecane
CID 87645981
1-(trisulfanyl)nonane
CID 173204231
11-(decyldisulfanyl)undecan-1-ol
CID 102160714
6-(tetradecyldisulfanyl)hexan-1-ol
CID 172554723
1-hexylsulfanyloctane
CID 15742910
1-hexylsulfanyloctadecane
CID 21424485

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-yldisulfanyl)hexane?
The IUPAC name of 1-(propan-2-yldisulfanyl)hexane (CID 536197) is 1-(propan-2-yldisulfanyl)hexane.
What is the SMILES notation for 1-(propan-2-yldisulfanyl)hexane?
The canonical SMILES for 1-(propan-2-yldisulfanyl)hexane is CCCCCCSSC(C)C.
What is the InChIKey of 1-(propan-2-yldisulfanyl)hexane?
The InChIKey is AWBYCNHUVZRSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20S2/c1-4-5-6-7-8-10-11-9(2)3/h9H,4-8H2,1-3H3.
What are the key properties of 1-(propan-2-yldisulfanyl)hexane?
1-(propan-2-yldisulfanyl)hexane has a molecular weight of 192.39 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-yldisulfanyl)hexane is sourced from PubChem (CID 536197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).