(methyltrisulfanyl)cyclohexane

C7H14S3 — CID 86037644

IUPAC(methyltrisulfanyl)cyclohexane
SMILESCSSSC1CCCCC1
InChIInChI=1S/C7H14S3/c1-8-10-9-7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKeyANJBBVSAPFFXQT-UHFFFAOYSA-N
MW194.39 g/mol
LogP3.98
Rot. Bonds3

About (methyltrisulfanyl)cyclohexane

(methyltrisulfanyl)cyclohexane (PubChem CID 86037644) has the molecular formula C7H14S3 and a molecular weight of 194.39 g/mol. Its IUPAC name is (methyltrisulfanyl)cyclohexane.

Molecular Properties

Compound Name(methyltrisulfanyl)cyclohexane
PubChem CID86037644
Molecular FormulaC7H14S3
Molecular Weight194.39 g/mol
Exact Mass194.03
IUPAC Name(methyltrisulfanyl)cyclohexane
SMILESCSSSC1CCCCC1
InChIInChI=1S/C7H14S3/c1-8-10-9-7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKeyANJBBVSAPFFXQT-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.39
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexanethiol
CID 15290
1-(Methyldisulfanyl)hexane
CID 536236
Cyclohexane-1,2-dithiol
CID 5242646
Methyl dithiane
CID 18689494
Cyclohexanesulfenyl chloride
CID 87312
Lithium cyclohexanethiolate
CID 11137158
2,5-Hexanedithiol
CID 12272149
(Methyldisulfanyl)cyclohexane
CID 13627491
Dithiaoctane
CID 14942892
1,4-Dithiocyclohexane
CID 18172212
2,6-Dimercaptohexane
CID 18519069
Hexane-1,3-dithiol
CID 18522614

Frequently Asked Questions

What is the IUPAC name of (methyltrisulfanyl)cyclohexane?
The IUPAC name of (methyltrisulfanyl)cyclohexane (CID 86037644) is (methyltrisulfanyl)cyclohexane.
What is the SMILES notation for (methyltrisulfanyl)cyclohexane?
The canonical SMILES for (methyltrisulfanyl)cyclohexane is CSSSC1CCCCC1.
What is the InChIKey of (methyltrisulfanyl)cyclohexane?
The InChIKey is ANJBBVSAPFFXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S3/c1-8-10-9-7-5-3-2-4-6-7/h7H,2-6H2,1H3.
What are the key properties of (methyltrisulfanyl)cyclohexane?
(methyltrisulfanyl)cyclohexane has a molecular weight of 194.39 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (methyltrisulfanyl)cyclohexane is sourced from PubChem (CID 86037644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).