2-methyl-2,3-dihydro-1H-indeno[5,4-b][1]benzothiole

C16H14S — CID 141137697

IUPAC2-methyl-2,3-dihydro-1H-indeno[5,4-b][1]benzothiole
SMILESCC1Cc2ccc3sc4ccccc4c3c2C1
InChIInChI=1S/C16H14S/c1-10-8-11-6-7-15-16(13(11)9-10)12-4-2-3-5-14(12)17-15/h2-7,10H,8-9H2,1H3
InChIKeyWXTIDGXOTJSWOR-UHFFFAOYSA-N
MW238.36 g/mol
LogP4.79
Rot. Bonds

About 2-methyl-2,3-dihydro-1H-indeno[5,4-b][1]benzothiole

2-methyl-2,3-dihydro-1H-indeno[5,4-b][1]benzothiole (PubChem CID 141137697) has the molecular formula C16H14S and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-methyl-2,3-dihydro-1H-indeno[5,4-b][1]benzothiole.

Molecular Properties

Compound Name2-methyl-2,3-dihydro-1H-indeno[5,4-b][1]benzothiole
PubChem CID141137697
Molecular FormulaC16H14S
Molecular Weight238.36 g/mol
Exact Mass238.08
IUPAC Name2-methyl-2,3-dihydro-1H-indeno[5,4-b][1]benzothiole
SMILESCC1Cc2ccc3sc4ccccc4c3c2C1
InChIInChI=1S/C16H14S/c1-10-8-11-6-7-15-16(13(11)9-10)12-4-2-3-5-14(12)17-15/h2-7,10H,8-9H2,1H3
InChIKeyWXTIDGXOTJSWOR-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyldibenzothiophene
CID 23839
12H-fluoreno[2,1-b][1]benzothiole
CID 122434434
2-methyl-2,3-dihydro-1H-cyclopenta[l]phenanthrene
CID 20700482
1H-[1]benzothiolo[3,2-e]isoindole
CID 57280205
1-(2,2-dimethylpropyl)dibenzothiophene
CID 139500455
bis(dibenzothiophene);ethane
CID 143921746
12,12-dimethylfluoreno[2,1-b][1]benzothiole
CID 164804096
CID 163829331
CID 163829331
N,N-dimethyldibenzothiophen-1-amine;ethane
CID 157496126
2-naphtho[2,1-b][1]benzothiol-4-yl-4,6-diphenyl-1,3,5-triazine
CID 155474127
1-(2-hydroxydibenzothiophen-1-yl)dibenzothiophen-2-ol
CID 142742371
1-phenyldibenzothiophene;hydrobromide
CID 174679709

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3-dihydro-1H-indeno[5,4-b][1]benzothiole?
The IUPAC name of 2-methyl-2,3-dihydro-1H-indeno[5,4-b][1]benzothiole (CID 141137697) is 2-methyl-2,3-dihydro-1H-indeno[5,4-b][1]benzothiole.
What is the SMILES notation for 2-methyl-2,3-dihydro-1H-indeno[5,4-b][1]benzothiole?
The canonical SMILES for 2-methyl-2,3-dihydro-1H-indeno[5,4-b][1]benzothiole is CC1Cc2ccc3sc4ccccc4c3c2C1.
What is the InChIKey of 2-methyl-2,3-dihydro-1H-indeno[5,4-b][1]benzothiole?
The InChIKey is WXTIDGXOTJSWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14S/c1-10-8-11-6-7-15-16(13(11)9-10)12-4-2-3-5-14(12)17-15/h2-7,10H,8-9H2,1H3.
What are the key properties of 2-methyl-2,3-dihydro-1H-indeno[5,4-b][1]benzothiole?
2-methyl-2,3-dihydro-1H-indeno[5,4-b][1]benzothiole has a molecular weight of 238.36 g/mol, XLogP of 4.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3-dihydro-1H-indeno[5,4-b][1]benzothiole is sourced from PubChem (CID 141137697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).