cyclohexane;sulfane

C6H14S — CID 21490444

IUPACcyclohexane;sulfane
SMILESC1CCCCC1.S
InChIInChI=1S/C6H12.H2S/c1-2-4-6-5-3-1;/h1-6H2;1H2
InChIKeyUGPDUMCSZQMBKL-UHFFFAOYSA-N
MW118.25 g/mol
LogP2.45
Rot. Bonds

About cyclohexane;sulfane

cyclohexane;sulfane (PubChem CID 21490444) has the molecular formula C6H14S and a molecular weight of 118.25 g/mol. Its IUPAC name is cyclohexane;sulfane.

Molecular Properties

Compound Namecyclohexane;sulfane
PubChem CID21490444
Molecular FormulaC6H14S
Molecular Weight118.25 g/mol
Exact Mass118.08
IUPAC Namecyclohexane;sulfane
SMILESC1CCCCC1.S
InChIInChI=1S/C6H12.H2S/c1-2-4-6-5-3-1;/h1-6H2;1H2
InChIKeyUGPDUMCSZQMBKL-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;sulfane?
The IUPAC name of cyclohexane;sulfane (CID 21490444) is cyclohexane;sulfane.
What is the SMILES notation for cyclohexane;sulfane?
The canonical SMILES for cyclohexane;sulfane is C1CCCCC1.S.
What is the InChIKey of cyclohexane;sulfane?
The InChIKey is UGPDUMCSZQMBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.H2S/c1-2-4-6-5-3-1;/h1-6H2;1H2.
What are the key properties of cyclohexane;sulfane?
cyclohexane;sulfane has a molecular weight of 118.25 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;sulfane is sourced from PubChem (CID 21490444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).