5-methyl-3-thiatricyclo[4.2.2.01,5]decane

C10H16S — CID 117071226

IUPAC5-methyl-3-thiatricyclo[4.2.2.01,5]decane
SMILESCC12CSCC13CCC2CC3
InChIInChI=1S/C10H16S/c1-9-6-11-7-10(9)4-2-8(9)3-5-10/h8H,2-7H2,1H3
InChIKeyOYFFWYIYVHZELM-UHFFFAOYSA-N
MW168.30 g/mol
LogP2.93
Rot. Bonds

About 5-methyl-3-thiatricyclo[4.2.2.01,5]decane

5-methyl-3-thiatricyclo[4.2.2.01,5]decane (PubChem CID 117071226) has the molecular formula C10H16S and a molecular weight of 168.30 g/mol. Its IUPAC name is 5-methyl-3-thiatricyclo[4.2.2.01,5]decane.

Molecular Properties

Compound Name5-methyl-3-thiatricyclo[4.2.2.01,5]decane
PubChem CID117071226
Molecular FormulaC10H16S
Molecular Weight168.30 g/mol
Exact Mass168.10
IUPAC Name5-methyl-3-thiatricyclo[4.2.2.01,5]decane
SMILESCC12CSCC13CCC2CC3
InChIInChI=1S/C10H16S/c1-9-6-11-7-10(9)4-2-8(9)3-5-10/h8H,2-7H2,1H3
InChIKeyOYFFWYIYVHZELM-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3,7-dithiatricyclo[3.3.3.01,5]undecane
CID 5260060
1-(1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane
CID 13184607
1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
CID 2758
(1S,3R,4S,6S)-3,4-dibromo-8-thiatricyclo[4.3.2.01,6]undecane
CID 98553681
3-cycloheptyl-5,5-dimethylthian-3-ol
CID 82928190
3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]thiophene
CID 171814964
2-cyclohexyl-2-methylspiro[2.5]octane;ethane
CID 145105367
3-tert-butyl-3-methylthietane
CID 58524143
1,2-dimethylbicyclo[3.1.0]hexan-2-amine
CID 152586556
(1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane
CID 123374537
2,6,6-trimethyl-2-(2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)bicyclo[3.1.1]heptane
CID 23528933

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-thiatricyclo[4.2.2.01,5]decane?
The IUPAC name of 5-methyl-3-thiatricyclo[4.2.2.01,5]decane (CID 117071226) is 5-methyl-3-thiatricyclo[4.2.2.01,5]decane.
What is the SMILES notation for 5-methyl-3-thiatricyclo[4.2.2.01,5]decane?
The canonical SMILES for 5-methyl-3-thiatricyclo[4.2.2.01,5]decane is CC12CSCC13CCC2CC3.
What is the InChIKey of 5-methyl-3-thiatricyclo[4.2.2.01,5]decane?
The InChIKey is OYFFWYIYVHZELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S/c1-9-6-11-7-10(9)4-2-8(9)3-5-10/h8H,2-7H2,1H3.
What are the key properties of 5-methyl-3-thiatricyclo[4.2.2.01,5]decane?
5-methyl-3-thiatricyclo[4.2.2.01,5]decane has a molecular weight of 168.30 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-thiatricyclo[4.2.2.01,5]decane is sourced from PubChem (CID 117071226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).