benzene;cyclohexane;sulfane

C12H20S — CID 67709458

IUPACbenzene;cyclohexane;sulfane
SMILESC1CCCCC1.S.c1ccccc1
InChIInChI=1S/C6H12.C6H6.H2S/c2*1-2-4-6-5-3-1;/h1-6H2;1-6H;1H2
InChIKeyQMBZIEQISYPUIY-UHFFFAOYSA-N
MW196.36 g/mol
LogP4.14
Rot. Bonds

About benzene;cyclohexane;sulfane

benzene;cyclohexane;sulfane (PubChem CID 67709458) has the molecular formula C12H20S and a molecular weight of 196.36 g/mol. Its IUPAC name is benzene;cyclohexane;sulfane.

Molecular Properties

Compound Namebenzene;cyclohexane;sulfane
PubChem CID67709458
Molecular FormulaC12H20S
Molecular Weight196.36 g/mol
Exact Mass196.13
IUPAC Namebenzene;cyclohexane;sulfane
SMILESC1CCCCC1.S.c1ccccc1
InChIInChI=1S/C6H12.C6H6.H2S/c2*1-2-4-6-5-3-1;/h1-6H2;1-6H;1H2
InChIKeyQMBZIEQISYPUIY-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzene;cyclohexane;sulfane?
The IUPAC name of benzene;cyclohexane;sulfane (CID 67709458) is benzene;cyclohexane;sulfane.
What is the SMILES notation for benzene;cyclohexane;sulfane?
The canonical SMILES for benzene;cyclohexane;sulfane is C1CCCCC1.S.c1ccccc1.
What is the InChIKey of benzene;cyclohexane;sulfane?
The InChIKey is QMBZIEQISYPUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C6H6.H2S/c2*1-2-4-6-5-3-1;/h1-6H2;1-6H;1H2.
What are the key properties of benzene;cyclohexane;sulfane?
benzene;cyclohexane;sulfane has a molecular weight of 196.36 g/mol, XLogP of 4.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;cyclohexane;sulfane is sourced from PubChem (CID 67709458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).