3a-methyl-3-methylsulfanyl-1,4,5,6,7,7a-hexahydroindene

C11H18S — CID 144643263

IUPAC3a-methyl-3-methylsulfanyl-1,4,5,6,7,7a-hexahydroindene
SMILESCSC1=CCC2CCCCC12C
InChIInChI=1S/C11H18S/c1-11-8-4-3-5-9(11)6-7-10(11)12-2/h7,9H,3-6,8H2,1-2H3
InChIKeySSYZTRMDODWEDC-UHFFFAOYSA-N
MW182.33 g/mol
LogP3.83
Rot. Bonds1

About 3a-methyl-3-methylsulfanyl-1,4,5,6,7,7a-hexahydroindene

3a-methyl-3-methylsulfanyl-1,4,5,6,7,7a-hexahydroindene (PubChem CID 144643263) has the molecular formula C11H18S and a molecular weight of 182.33 g/mol. Its IUPAC name is 3a-methyl-3-methylsulfanyl-1,4,5,6,7,7a-hexahydroindene.

Molecular Properties

Compound Name3a-methyl-3-methylsulfanyl-1,4,5,6,7,7a-hexahydroindene
PubChem CID144643263
Molecular FormulaC11H18S
Molecular Weight182.33 g/mol
Exact Mass182.11
IUPAC Name3a-methyl-3-methylsulfanyl-1,4,5,6,7,7a-hexahydroindene
SMILESCSC1=CCC2CCCCC12C
InChIInChI=1S/C11H18S/c1-11-8-4-3-5-9(11)6-7-10(11)12-2/h7,9H,3-6,8H2,1-2H3
InChIKeySSYZTRMDODWEDC-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3a-methyl-3-methylsulfanyl-1,4,5,6,7,7a-hexahydroindene?
The IUPAC name of 3a-methyl-3-methylsulfanyl-1,4,5,6,7,7a-hexahydroindene (CID 144643263) is 3a-methyl-3-methylsulfanyl-1,4,5,6,7,7a-hexahydroindene.
What is the SMILES notation for 3a-methyl-3-methylsulfanyl-1,4,5,6,7,7a-hexahydroindene?
The canonical SMILES for 3a-methyl-3-methylsulfanyl-1,4,5,6,7,7a-hexahydroindene is CSC1=CCC2CCCCC12C.
What is the InChIKey of 3a-methyl-3-methylsulfanyl-1,4,5,6,7,7a-hexahydroindene?
The InChIKey is SSYZTRMDODWEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18S/c1-11-8-4-3-5-9(11)6-7-10(11)12-2/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 3a-methyl-3-methylsulfanyl-1,4,5,6,7,7a-hexahydroindene?
3a-methyl-3-methylsulfanyl-1,4,5,6,7,7a-hexahydroindene has a molecular weight of 182.33 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-methyl-3-methylsulfanyl-1,4,5,6,7,7a-hexahydroindene is sourced from PubChem (CID 144643263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).