2,6,8-trimethyl-4,5-dihydrobenzo[g][1]benzothiole

C15H16S — CID 143267942

IUPAC2,6,8-trimethyl-4,5-dihydrobenzo[g][1]benzothiole
SMILESCc1cc(C)c2c(c1)-c1sc(C)cc1CC2
InChIInChI=1S/C15H16S/c1-9-6-10(2)13-5-4-12-8-11(3)16-15(12)14(13)7-9/h6-8H,4-5H2,1-3H3
InChIKeyHFWLJIYLMQTJGU-UHFFFAOYSA-N
MW228.36 g/mol
LogP4.44
Rot. Bonds

About 2,6,8-trimethyl-4,5-dihydrobenzo[g][1]benzothiole

2,6,8-trimethyl-4,5-dihydrobenzo[g][1]benzothiole (PubChem CID 143267942) has the molecular formula C15H16S and a molecular weight of 228.36 g/mol. Its IUPAC name is 2,6,8-trimethyl-4,5-dihydrobenzo[g][1]benzothiole.

Molecular Properties

Compound Name2,6,8-trimethyl-4,5-dihydrobenzo[g][1]benzothiole
PubChem CID143267942
Molecular FormulaC15H16S
Molecular Weight228.36 g/mol
Exact Mass228.10
IUPAC Name2,6,8-trimethyl-4,5-dihydrobenzo[g][1]benzothiole
SMILESCc1cc(C)c2c(c1)-c1sc(C)cc1CC2
InChIInChI=1S/C15H16S/c1-9-6-10(2)13-5-4-12-8-11(3)16-15(12)14(13)7-9/h6-8H,4-5H2,1-3H3
InChIKeyHFWLJIYLMQTJGU-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6,8-dimethyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid
CID 23117352
1-(6,8-dimethyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-2-methylpropan-1-one
CID 11173641
N,6,8-trimethyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 143267957
4,6-dimethyl-2,3-dihydroinden-1-one
CID 640553
1,3,6,7-tetramethyl-9H-fluorene
CID 59561051
6-fluoro-8-methyl-4,5-dihydrobenzo[g][1]benzothiole
CID 71078098
ethane;2-methyl-4,5,6,7-tetrahydrocyclohepta[b]thiophen-8-one
CID 143997047
actinium;(5,7-dimethyl-3,4-dihydronaphthalen-1-yl)azanide
CID 21343730
6,8-dimethyl-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 75532115
6,8-dimethyl-4H-thieno[3,2-c]chromene-2-carboxylic acid
CID 86299364
1,3,6-trimethyl-9H-fluorene
CID 59560956
6-chloro-7-methyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid
CID 137370289

Frequently Asked Questions

What is the IUPAC name of 2,6,8-trimethyl-4,5-dihydrobenzo[g][1]benzothiole?
The IUPAC name of 2,6,8-trimethyl-4,5-dihydrobenzo[g][1]benzothiole (CID 143267942) is 2,6,8-trimethyl-4,5-dihydrobenzo[g][1]benzothiole.
What is the SMILES notation for 2,6,8-trimethyl-4,5-dihydrobenzo[g][1]benzothiole?
The canonical SMILES for 2,6,8-trimethyl-4,5-dihydrobenzo[g][1]benzothiole is Cc1cc(C)c2c(c1)-c1sc(C)cc1CC2.
What is the InChIKey of 2,6,8-trimethyl-4,5-dihydrobenzo[g][1]benzothiole?
The InChIKey is HFWLJIYLMQTJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16S/c1-9-6-10(2)13-5-4-12-8-11(3)16-15(12)14(13)7-9/h6-8H,4-5H2,1-3H3.
What are the key properties of 2,6,8-trimethyl-4,5-dihydrobenzo[g][1]benzothiole?
2,6,8-trimethyl-4,5-dihydrobenzo[g][1]benzothiole has a molecular weight of 228.36 g/mol, XLogP of 4.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,8-trimethyl-4,5-dihydrobenzo[g][1]benzothiole is sourced from PubChem (CID 143267942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).