ethane;methylcyclohexane;sulfane

C9H24S2 — CID 145330244

IUPACethane;methylcyclohexane;sulfane
SMILESCC.CC1CCCCC1.S.S
InChIInChI=1S/C7H14.C2H6.2H2S/c1-7-5-3-2-4-6-7;1-2;;/h7H,2-6H2,1H3;1-2H3;2*1H2
InChIKeyXOSAKWFOIBTPEN-UHFFFAOYSA-N
MW196.42 g/mol
LogP3.84
Rot. Bonds

About ethane;methylcyclohexane;sulfane

ethane;methylcyclohexane;sulfane (PubChem CID 145330244) has the molecular formula C9H24S2 and a molecular weight of 196.42 g/mol. Its IUPAC name is ethane;methylcyclohexane;sulfane.

Molecular Properties

Compound Nameethane;methylcyclohexane;sulfane
PubChem CID145330244
Molecular FormulaC9H24S2
Molecular Weight196.42 g/mol
Exact Mass196.13
IUPAC Nameethane;methylcyclohexane;sulfane
SMILESCC.CC1CCCCC1.S.S
InChIInChI=1S/C7H14.C2H6.2H2S/c1-7-5-3-2-4-6-7;1-2;;/h7H,2-6H2,1H3;1-2H3;2*1H2
InChIKeyXOSAKWFOIBTPEN-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.42
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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ethane;methane;methylcyclohexane;methylcyclopentane
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CID 91298161
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CID 20788572
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methane;methylcyclohexane
CID 143705611
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CID 174461507
methylcyclopentane
CID 7296
methylcyclohexane;phosphane;pentahydrochloride
CID 174057866
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CID 159112389

Frequently Asked Questions

What is the IUPAC name of ethane;methylcyclohexane;sulfane?
The IUPAC name of ethane;methylcyclohexane;sulfane (CID 145330244) is ethane;methylcyclohexane;sulfane.
What is the SMILES notation for ethane;methylcyclohexane;sulfane?
The canonical SMILES for ethane;methylcyclohexane;sulfane is CC.CC1CCCCC1.S.S.
What is the InChIKey of ethane;methylcyclohexane;sulfane?
The InChIKey is XOSAKWFOIBTPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C2H6.2H2S/c1-7-5-3-2-4-6-7;1-2;;/h7H,2-6H2,1H3;1-2H3;2*1H2.
What are the key properties of ethane;methylcyclohexane;sulfane?
ethane;methylcyclohexane;sulfane has a molecular weight of 196.42 g/mol, XLogP of 3.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methylcyclohexane;sulfane is sourced from PubChem (CID 145330244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).