2,8-dimethylthieno[3,2-b][1]benzothiole

C12H10S2 — CID 155307998

IUPAC2,8-dimethylthieno[3,2-b][1]benzothiole
SMILESCc1cc2sc3cccc(C)c3c2s1
InChIInChI=1S/C12H10S2/c1-7-4-3-5-9-11(7)12-10(14-9)6-8(2)13-12/h3-6H,1-2H3
InChIKeyHJIAXRFXEDQULB-UHFFFAOYSA-N
MW218.35 g/mol
LogP4.73
Rot. Bonds

About 2,8-dimethylthieno[3,2-b][1]benzothiole

2,8-dimethylthieno[3,2-b][1]benzothiole (PubChem CID 155307998) has the molecular formula C12H10S2 and a molecular weight of 218.35 g/mol. Its IUPAC name is 2,8-dimethylthieno[3,2-b][1]benzothiole.

Molecular Properties

Compound Name2,8-dimethylthieno[3,2-b][1]benzothiole
PubChem CID155307998
Molecular FormulaC12H10S2
Molecular Weight218.35 g/mol
Exact Mass218.02
IUPAC Name2,8-dimethylthieno[3,2-b][1]benzothiole
SMILESCc1cc2sc3cccc(C)c3c2s1
InChIInChI=1S/C12H10S2/c1-7-4-3-5-9-11(7)12-10(14-9)6-8(2)13-12/h3-6H,1-2H3
InChIKeyHJIAXRFXEDQULB-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.35
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethylthieno[3,2-b][1]benzothiole?
The IUPAC name of 2,8-dimethylthieno[3,2-b][1]benzothiole (CID 155307998) is 2,8-dimethylthieno[3,2-b][1]benzothiole.
What is the SMILES notation for 2,8-dimethylthieno[3,2-b][1]benzothiole?
The canonical SMILES for 2,8-dimethylthieno[3,2-b][1]benzothiole is Cc1cc2sc3cccc(C)c3c2s1.
What is the InChIKey of 2,8-dimethylthieno[3,2-b][1]benzothiole?
The InChIKey is HJIAXRFXEDQULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10S2/c1-7-4-3-5-9-11(7)12-10(14-9)6-8(2)13-12/h3-6H,1-2H3.
What are the key properties of 2,8-dimethylthieno[3,2-b][1]benzothiole?
2,8-dimethylthieno[3,2-b][1]benzothiole has a molecular weight of 218.35 g/mol, XLogP of 4.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethylthieno[3,2-b][1]benzothiole is sourced from PubChem (CID 155307998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).