cyclohexane;cyclohexanone;sulfane

C12H24OS — CID 175236228

IUPACcyclohexane;cyclohexanone;sulfane
SMILESC1CCCCC1.O=C1CCCCC1.S
InChIInChI=1S/C6H10O.C6H12.H2S/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;/h1-5H2;1-6H2;1H2
InChIKeyPNQWYQRKAUACOJ-UHFFFAOYSA-N
MW216.39 g/mol
LogP3.97
Rot. Bonds

About cyclohexane;cyclohexanone;sulfane

cyclohexane;cyclohexanone;sulfane (PubChem CID 175236228) has the molecular formula C12H24OS and a molecular weight of 216.39 g/mol. Its IUPAC name is cyclohexane;cyclohexanone;sulfane.

Molecular Properties

Compound Namecyclohexane;cyclohexanone;sulfane
PubChem CID175236228
Molecular FormulaC12H24OS
Molecular Weight216.39 g/mol
Exact Mass216.15
IUPAC Namecyclohexane;cyclohexanone;sulfane
SMILESC1CCCCC1.O=C1CCCCC1.S
InChIInChI=1S/C6H10O.C6H12.H2S/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;/h1-5H2;1-6H2;1H2
InChIKeyPNQWYQRKAUACOJ-UHFFFAOYSA-N
XLogP3.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 174611672
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CID 174689717
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Frequently Asked Questions

What is the IUPAC name of cyclohexane;cyclohexanone;sulfane?
The IUPAC name of cyclohexane;cyclohexanone;sulfane (CID 175236228) is cyclohexane;cyclohexanone;sulfane.
What is the SMILES notation for cyclohexane;cyclohexanone;sulfane?
The canonical SMILES for cyclohexane;cyclohexanone;sulfane is C1CCCCC1.O=C1CCCCC1.S.
What is the InChIKey of cyclohexane;cyclohexanone;sulfane?
The InChIKey is PNQWYQRKAUACOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C6H12.H2S/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;/h1-5H2;1-6H2;1H2.
What are the key properties of cyclohexane;cyclohexanone;sulfane?
cyclohexane;cyclohexanone;sulfane has a molecular weight of 216.39 g/mol, XLogP of 3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;cyclohexanone;sulfane is sourced from PubChem (CID 175236228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).