3,6,7,8-tetramethyl-1,2,3,4,4a,9b-hexahydrodibenzothiophene

C16H22S — CID 143503721

IUPAC3,6,7,8-tetramethyl-1,2,3,4,4a,9b-hexahydrodibenzothiophene
SMILESCc1cc2c(c(C)c1C)SC1CC(C)CCC21
InChIInChI=1S/C16H22S/c1-9-5-6-13-14-8-10(2)11(3)12(4)16(14)17-15(13)7-9/h8-9,13,15H,5-7H2,1-4H3
InChIKeyHFDWJINHLYQULP-UHFFFAOYSA-N
MW246.42 g/mol
LogP4.99
Rot. Bonds

About 3,6,7,8-tetramethyl-1,2,3,4,4a,9b-hexahydrodibenzothiophene

3,6,7,8-tetramethyl-1,2,3,4,4a,9b-hexahydrodibenzothiophene (PubChem CID 143503721) has the molecular formula C16H22S and a molecular weight of 246.42 g/mol. Its IUPAC name is 3,6,7,8-tetramethyl-1,2,3,4,4a,9b-hexahydrodibenzothiophene.

Molecular Properties

Compound Name3,6,7,8-tetramethyl-1,2,3,4,4a,9b-hexahydrodibenzothiophene
PubChem CID143503721
Molecular FormulaC16H22S
Molecular Weight246.42 g/mol
Exact Mass246.14
IUPAC Name3,6,7,8-tetramethyl-1,2,3,4,4a,9b-hexahydrodibenzothiophene
SMILESCc1cc2c(c(C)c1C)SC1CC(C)CCC21
InChIInChI=1S/C16H22S/c1-9-5-6-13-14-8-10(2)11(3)12(4)16(14)17-15(13)7-9/h8-9,13,15H,5-7H2,1-4H3
InChIKeyHFDWJINHLYQULP-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bis(1,4-dimethylcyclohexane);1,2,3,5-tetramethylbenzene
CID 158011653
6-methyl-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-one
CID 78170091
1-(2,4-dimethylcyclohexyl)-2,4-dimethylbenzene
CID 23529825
[2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methanamine
CID 106882856
1,4-dimethylcyclohexane;1-methyl-4-methylidenecyclohexane;1,2,3,4,5-pentamethylbenzene
CID 159634644
1,2,4,5-tetramethyl-3-[(4-methylcyclohexyl)methyl]benzene
CID 58224470
2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexan-1-amine
CID 106882846
[4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methanamine
CID 81010311
2-methyl-5-[[(3-methylcyclopentyl)amino]methyl]aniline
CID 114547247
4-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 102756356
[(1R,2R)-2-[bis(3,4,5-trimethylphenyl)phosphanylmethyl]cyclobutyl]methyl-bis(3,4,5-trimethylphenyl)phosphane
CID 155202363
(3R)-1,3-dimethylcyclopentane
CID 13119651

Frequently Asked Questions

What is the IUPAC name of 3,6,7,8-tetramethyl-1,2,3,4,4a,9b-hexahydrodibenzothiophene?
The IUPAC name of 3,6,7,8-tetramethyl-1,2,3,4,4a,9b-hexahydrodibenzothiophene (CID 143503721) is 3,6,7,8-tetramethyl-1,2,3,4,4a,9b-hexahydrodibenzothiophene.
What is the SMILES notation for 3,6,7,8-tetramethyl-1,2,3,4,4a,9b-hexahydrodibenzothiophene?
The canonical SMILES for 3,6,7,8-tetramethyl-1,2,3,4,4a,9b-hexahydrodibenzothiophene is Cc1cc2c(c(C)c1C)SC1CC(C)CCC21.
What is the InChIKey of 3,6,7,8-tetramethyl-1,2,3,4,4a,9b-hexahydrodibenzothiophene?
The InChIKey is HFDWJINHLYQULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22S/c1-9-5-6-13-14-8-10(2)11(3)12(4)16(14)17-15(13)7-9/h8-9,13,15H,5-7H2,1-4H3.
What are the key properties of 3,6,7,8-tetramethyl-1,2,3,4,4a,9b-hexahydrodibenzothiophene?
3,6,7,8-tetramethyl-1,2,3,4,4a,9b-hexahydrodibenzothiophene has a molecular weight of 246.42 g/mol, XLogP of 4.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7,8-tetramethyl-1,2,3,4,4a,9b-hexahydrodibenzothiophene is sourced from PubChem (CID 143503721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).