thieno[3,2-e][1]benzothiole

C10H6S2 — CID 605461

IUPACthieno[3,2-e][1]benzothiole
SMILESc1cc2c(ccc3sccc32)s1
InChIInChI=1S/C10H6S2/c1-2-10-8(4-6-12-10)7-3-5-11-9(1)7/h1-6H
InChIKeyCRUIOQJBPNKOJG-UHFFFAOYSA-N
MW190.29 g/mol
LogP4.12
Rot. Bonds

About thieno[3,2-e][1]benzothiole

thieno[3,2-e][1]benzothiole (PubChem CID 605461) has the molecular formula C10H6S2 and a molecular weight of 190.29 g/mol. Its IUPAC name is thieno[3,2-e][1]benzothiole.

Molecular Properties

Compound Namethieno[3,2-e][1]benzothiole
PubChem CID605461
Molecular FormulaC10H6S2
Molecular Weight190.29 g/mol
Exact Mass189.99
IUPAC Namethieno[3,2-e][1]benzothiole
SMILESc1cc2c(ccc3sccc32)s1
InChIInChI=1S/C10H6S2/c1-2-10-8(4-6-12-10)7-3-5-11-9(1)7/h1-6H
InChIKeyCRUIOQJBPNKOJG-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of thieno[3,2-e][1]benzothiole?
The IUPAC name of thieno[3,2-e][1]benzothiole (CID 605461) is thieno[3,2-e][1]benzothiole.
What is the SMILES notation for thieno[3,2-e][1]benzothiole?
The canonical SMILES for thieno[3,2-e][1]benzothiole is c1cc2c(ccc3sccc32)s1.
What is the InChIKey of thieno[3,2-e][1]benzothiole?
The InChIKey is CRUIOQJBPNKOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6S2/c1-2-10-8(4-6-12-10)7-3-5-11-9(1)7/h1-6H.
What are the key properties of thieno[3,2-e][1]benzothiole?
thieno[3,2-e][1]benzothiole has a molecular weight of 190.29 g/mol, XLogP of 4.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[3,2-e][1]benzothiole is sourced from PubChem (CID 605461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).