1-methyl-2-methylsulfanylcyclohexene

C8H14S — CID 5325879

IUPAC1-methyl-2-methylsulfanylcyclohexene
SMILESCSC1=C(C)CCCC1
InChIInChI=1S/C8H14S/c1-7-5-3-4-6-8(7)9-2/h3-6H2,1-2H3
InChIKeyYPGRVNMITCXWRR-UHFFFAOYSA-N
MW142.27 g/mol
LogP3.20
Rot. Bonds1

About 1-methyl-2-methylsulfanylcyclohexene

1-methyl-2-methylsulfanylcyclohexene (PubChem CID 5325879) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 1-methyl-2-methylsulfanylcyclohexene.

Molecular Properties

Compound Name1-methyl-2-methylsulfanylcyclohexene
PubChem CID5325879
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name1-methyl-2-methylsulfanylcyclohexene
SMILESCSC1=C(C)CCCC1
InChIInChI=1S/C8H14S/c1-7-5-3-4-6-8(7)9-2/h3-6H2,1-2H3
InChIKeyYPGRVNMITCXWRR-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-methylsulfanylcyclohexene?
The IUPAC name of 1-methyl-2-methylsulfanylcyclohexene (CID 5325879) is 1-methyl-2-methylsulfanylcyclohexene.
What is the SMILES notation for 1-methyl-2-methylsulfanylcyclohexene?
The canonical SMILES for 1-methyl-2-methylsulfanylcyclohexene is CSC1=C(C)CCCC1.
What is the InChIKey of 1-methyl-2-methylsulfanylcyclohexene?
The InChIKey is YPGRVNMITCXWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-7-5-3-4-6-8(7)9-2/h3-6H2,1-2H3.
What are the key properties of 1-methyl-2-methylsulfanylcyclohexene?
1-methyl-2-methylsulfanylcyclohexene has a molecular weight of 142.27 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-methylsulfanylcyclohexene is sourced from PubChem (CID 5325879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).