4-thiatricyclo[5.2.2.02,6]undecane

C10H16S — CID 597731

IUPAC4-thiatricyclo[5.2.2.02,6]undecane
SMILESC1CC2CCC1C1CSCC21
InChIInChI=1S/C10H16S/c1-2-8-4-3-7(1)9-5-11-6-10(8)9/h7-10H,1-6H2
InChIKeyUOSACYNCXLYJGL-UHFFFAOYSA-N
MW168.30 g/mol
LogP2.79
Rot. Bonds

About 4-thiatricyclo[5.2.2.02,6]undecane

4-thiatricyclo[5.2.2.02,6]undecane (PubChem CID 597731) has the molecular formula C10H16S and a molecular weight of 168.30 g/mol. Its IUPAC name is 4-thiatricyclo[5.2.2.02,6]undecane.

Molecular Properties

Compound Name4-thiatricyclo[5.2.2.02,6]undecane
PubChem CID597731
Molecular FormulaC10H16S
Molecular Weight168.30 g/mol
Exact Mass168.10
IUPAC Name4-thiatricyclo[5.2.2.02,6]undecane
SMILESC1CC2CCC1C1CSCC21
InChIInChI=1S/C10H16S/c1-2-8-4-3-7(1)9-5-11-6-10(8)9/h7-10H,1-6H2
InChIKeyUOSACYNCXLYJGL-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Dodecahydrodibenzothiophene
CID 14440857
4,6-Dimethylperhydrodibenzothiophene
CID 86219056
Thiagonane
CID 129775710
Perhydrophenanthrothiophene
CID 129850127
(2R,6S)-4-thiatricyclo[5.2.2.02,6]undecane
CID 22217387
1,3,4,5,6,7-Hexamethyl-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene
CID 22095284
1,3-dimethylspiro[3,3a,4,5,7,7a-hexahydro-1H-2-benzothiophene-6,1'-cyclohexane]
CID 22950276
1,3-Dimethyl-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydronaphtho[2,3-c]thiophene
CID 23531371
3-Butyl-5-[4-(3-methylcyclohexyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1-benzothiophene
CID 68395952
2-Cyclohexyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydronaphtho[2,3-b]thiophene
CID 89938793
11-Thiatetracyclo[8.7.0.02,7.012,17]heptadecane
CID 117943195
3,4,6,7-Tetramethyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene
CID 126748142

Frequently Asked Questions

What is the IUPAC name of 4-thiatricyclo[5.2.2.02,6]undecane?
The IUPAC name of 4-thiatricyclo[5.2.2.02,6]undecane (CID 597731) is 4-thiatricyclo[5.2.2.02,6]undecane.
What is the SMILES notation for 4-thiatricyclo[5.2.2.02,6]undecane?
The canonical SMILES for 4-thiatricyclo[5.2.2.02,6]undecane is C1CC2CCC1C1CSCC21.
What is the InChIKey of 4-thiatricyclo[5.2.2.02,6]undecane?
The InChIKey is UOSACYNCXLYJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S/c1-2-8-4-3-7(1)9-5-11-6-10(8)9/h7-10H,1-6H2.
What are the key properties of 4-thiatricyclo[5.2.2.02,6]undecane?
4-thiatricyclo[5.2.2.02,6]undecane has a molecular weight of 168.30 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiatricyclo[5.2.2.02,6]undecane is sourced from PubChem (CID 597731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).