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

C10H6S2 — CID 605457

IUPACthieno[3,2-b][1]benzothiole
SMILESc1ccc2c(c1)sc1ccsc12
InChIInChI=1S/C10H6S2/c1-2-4-8-7(3-1)10-9(12-8)5-6-11-10/h1-6H
InChIKeyOFPPMFSHIKARPG-UHFFFAOYSA-N
MW190.29 g/mol
LogP4.12
Rot. Bonds

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

thieno[3,2-b][1]benzothiole (PubChem CID 605457) has the molecular formula C10H6S2 and a molecular weight of 190.29 g/mol. Its IUPAC name is thieno[3,2-b][1]benzothiole.

Molecular Properties

Compound Namethieno[3,2-b][1]benzothiole
PubChem CID605457
Molecular FormulaC10H6S2
Molecular Weight190.29 g/mol
Exact Mass189.99
IUPAC Namethieno[3,2-b][1]benzothiole
SMILESc1ccc2c(c1)sc1ccsc12
InChIInChI=1S/C10H6S2/c1-2-4-8-7(3-1)10-9(12-8)5-6-11-10/h1-6H
InChIKeyOFPPMFSHIKARPG-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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Related Compounds

dibenzothiophene;9,10-dimethylphenanthrene;3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 145347991
dibenzothiophene;methane
CID 162233710
[1]benzothiolo[7,6-b][1]benzothiole
CID 13164288
bis(dibenzothiophene);ethane
CID 143921746
3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene;hydrobromide
CID 67340695
11,15-dithia-8-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene
CID 163979264
dibenzothiophene;formaldehyde
CID 20556925
4-tritio-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 131860132
4,8-dithiapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1(20),2(9),3(7),5,10,12,14,16,18-nonaene
CID 147364120
1-benzothiophene;thieno[2,3-e][1]benzothiole
CID 158748847
dibenzothiophene;ethane;molecular hydrogen
CID 145320534
9-(6-bromothieno[3,2-b]thiophen-5-yl)carbazole
CID 146321312

Frequently Asked Questions

What is the IUPAC name of thieno[3,2-b][1]benzothiole?
The IUPAC name of thieno[3,2-b][1]benzothiole (CID 605457) is thieno[3,2-b][1]benzothiole.
What is the SMILES notation for thieno[3,2-b][1]benzothiole?
The canonical SMILES for thieno[3,2-b][1]benzothiole is c1ccc2c(c1)sc1ccsc12.
What is the InChIKey of thieno[3,2-b][1]benzothiole?
The InChIKey is OFPPMFSHIKARPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6S2/c1-2-4-8-7(3-1)10-9(12-8)5-6-11-10/h1-6H.
What are the key properties of thieno[3,2-b][1]benzothiole?
thieno[3,2-b][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-b][1]benzothiole is sourced from PubChem (CID 605457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).