1-methyl-4-propan-2-ylsulfanylcyclohexane

C10H20S — CID 59881971

IUPAC1-methyl-4-propan-2-ylsulfanylcyclohexane
SMILESCC1CCC(SC(C)C)CC1
InChIInChI=1S/C10H20S/c1-8(2)11-10-6-4-9(3)5-7-10/h8-10H,4-7H2,1-3H3
InChIKeyBUTBBGDPELGPDB-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.71
Rot. Bonds2

About 1-methyl-4-propan-2-ylsulfanylcyclohexane

1-methyl-4-propan-2-ylsulfanylcyclohexane (PubChem CID 59881971) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylsulfanylcyclohexane.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylsulfanylcyclohexane
PubChem CID59881971
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name1-methyl-4-propan-2-ylsulfanylcyclohexane
SMILESCC1CCC(SC(C)C)CC1
InChIInChI=1S/C10H20S/c1-8(2)11-10-6-4-9(3)5-7-10/h8-10H,4-7H2,1-3H3
InChIKeyBUTBBGDPELGPDB-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-methyl-4-methylsulfanylcyclohexane
CID 144625418
1-cyclopropylsulfanylethanethiol
CID 175507256
bis(1,4-dimethylcyclohexane);methane
CID 161326462
8-propan-2-ylsulfanyl-1,4-dioxaspiro[4.5]decane
CID 175668782
(1S,5S)-3-propan-2-ylsulfanyl-8-azabicyclo[3.2.1]octane
CID 98116343
3-propan-2-ylsulfanyl-8-azabicyclo[3.2.1]octane
CID 71778001
butan-2-ylsulfanylcyclopropane
CID 59881925
1-ethylsulfanyl-4-methylcyclohexane
CID 118564055
methane;1-methyl-4-propan-2-ylcyclohexane
CID 178082994
1-methyl-4-[3-(4-methylcyclohexyl)butan-2-yl]cyclohexane
CID 123821196
3-propan-2-ylsulfanylpyrrolidine;hydrochloride
CID 72716432
1,4-dimethylcyclohexane;methanol
CID 70358527

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-ylsulfanylcyclohexane?
The IUPAC name of 1-methyl-4-propan-2-ylsulfanylcyclohexane (CID 59881971) is 1-methyl-4-propan-2-ylsulfanylcyclohexane.
What is the SMILES notation for 1-methyl-4-propan-2-ylsulfanylcyclohexane?
The canonical SMILES for 1-methyl-4-propan-2-ylsulfanylcyclohexane is CC1CCC(SC(C)C)CC1.
What is the InChIKey of 1-methyl-4-propan-2-ylsulfanylcyclohexane?
The InChIKey is BUTBBGDPELGPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20S/c1-8(2)11-10-6-4-9(3)5-7-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-methyl-4-propan-2-ylsulfanylcyclohexane?
1-methyl-4-propan-2-ylsulfanylcyclohexane has a molecular weight of 172.34 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylsulfanylcyclohexane is sourced from PubChem (CID 59881971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).