2-methyl-1,2-dihydrothieno[2,3-b][1]benzothiole

C11H10S2 — CID 12702286

IUPAC2-methyl-1,2-dihydrothieno[2,3-b][1]benzothiole
SMILESCC1Cc2c(sc3ccccc23)S1
InChIInChI=1S/C11H10S2/c1-7-6-9-8-4-2-3-5-10(8)13-11(9)12-7/h2-5,7H,6H2,1H3
InChIKeyWKZUSZJIDCATPS-UHFFFAOYSA-N
MW206.34 g/mol
LogP3.94
Rot. Bonds

About 2-methyl-1,2-dihydrothieno[2,3-b][1]benzothiole

2-methyl-1,2-dihydrothieno[2,3-b][1]benzothiole (PubChem CID 12702286) has the molecular formula C11H10S2 and a molecular weight of 206.34 g/mol. Its IUPAC name is 2-methyl-1,2-dihydrothieno[2,3-b][1]benzothiole.

Molecular Properties

Compound Name2-methyl-1,2-dihydrothieno[2,3-b][1]benzothiole
PubChem CID12702286
Molecular FormulaC11H10S2
Molecular Weight206.34 g/mol
Exact Mass206.02
IUPAC Name2-methyl-1,2-dihydrothieno[2,3-b][1]benzothiole
SMILESCC1Cc2c(sc3ccccc23)S1
InChIInChI=1S/C11H10S2/c1-7-6-9-8-4-2-3-5-10(8)13-11(9)12-7/h2-5,7H,6H2,1H3
InChIKeyWKZUSZJIDCATPS-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.34
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2-dihydrothieno[2,3-b][1]benzothiole?
The IUPAC name of 2-methyl-1,2-dihydrothieno[2,3-b][1]benzothiole (CID 12702286) is 2-methyl-1,2-dihydrothieno[2,3-b][1]benzothiole.
What is the SMILES notation for 2-methyl-1,2-dihydrothieno[2,3-b][1]benzothiole?
The canonical SMILES for 2-methyl-1,2-dihydrothieno[2,3-b][1]benzothiole is CC1Cc2c(sc3ccccc23)S1.
What is the InChIKey of 2-methyl-1,2-dihydrothieno[2,3-b][1]benzothiole?
The InChIKey is WKZUSZJIDCATPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10S2/c1-7-6-9-8-4-2-3-5-10(8)13-11(9)12-7/h2-5,7H,6H2,1H3.
What are the key properties of 2-methyl-1,2-dihydrothieno[2,3-b][1]benzothiole?
2-methyl-1,2-dihydrothieno[2,3-b][1]benzothiole has a molecular weight of 206.34 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2-dihydrothieno[2,3-b][1]benzothiole is sourced from PubChem (CID 12702286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).