1-(methyldisulfanyl)hexane

C7H16S2 — CID 536236

IUPAC1-(methyldisulfanyl)hexane
SMILESCCCCCCSSC
InChIInChI=1S/C7H16S2/c1-3-4-5-6-7-9-8-2/h3-7H2,1-2H3
InChIKeyWZUAZKYWEVGSEC-UHFFFAOYSA-N
MW164.34 g/mol
LogP3.58
Rot. Bonds6

About 1-(methyldisulfanyl)hexane

1-(methyldisulfanyl)hexane (PubChem CID 536236) has the molecular formula C7H16S2 and a molecular weight of 164.34 g/mol. Its IUPAC name is 1-(methyldisulfanyl)hexane.

Molecular Properties

Compound Name1-(methyldisulfanyl)hexane
PubChem CID536236
Molecular FormulaC7H16S2
Molecular Weight164.34 g/mol
Exact Mass164.07
IUPAC Name1-(methyldisulfanyl)hexane
SMILESCCCCCCSSC
InChIInChI=1S/C7H16S2/c1-3-4-5-6-7-9-8-2/h3-7H2,1-2H3
InChIKeyWZUAZKYWEVGSEC-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.34
LogP ≤ 53.58
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'}

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Related Compounds

1-Heptanethiol
CID 15422
Amyl methyl disulfide
CID 522459
2-Heptanethiol
CID 522071
Butyl propyl disulfide
CID 522458
Isopropyl n-butyl disulphide
CID 525403
1-Pentanesulfenothioic acid
CID 21251947
Dihexyl disulfide
CID 82675
Dipentyl disulfide
CID 8191
Diheptyl disulfide
CID 82676
Disulfide, 1-methylpropyl propyl
CID 521902
1,3-Dipentyltrisulfane
CID 328317
Heptane-4-thiol
CID 12627260

Frequently Asked Questions

What is the IUPAC name of 1-(methyldisulfanyl)hexane?
The IUPAC name of 1-(methyldisulfanyl)hexane (CID 536236) is 1-(methyldisulfanyl)hexane.
What is the SMILES notation for 1-(methyldisulfanyl)hexane?
The canonical SMILES for 1-(methyldisulfanyl)hexane is CCCCCCSSC.
What is the InChIKey of 1-(methyldisulfanyl)hexane?
The InChIKey is WZUAZKYWEVGSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16S2/c1-3-4-5-6-7-9-8-2/h3-7H2,1-2H3.
What are the key properties of 1-(methyldisulfanyl)hexane?
1-(methyldisulfanyl)hexane has a molecular weight of 164.34 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methyldisulfanyl)hexane is sourced from PubChem (CID 536236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).