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

C18H12S3 — CID 158748847

IUPAC1-benzothiophene;thieno[2,3-e][1]benzothiole
SMILESc1cc2c(ccc3ccsc32)s1.c1ccc2sccc2c1
InChIInChI=1S/C10H6S2.C8H6S/c1-2-9-8(4-6-11-9)10-7(1)3-5-12-10;1-2-4-8-7(3-1)5-6-9-8/h1-6H;1-6H
InChIKeyINFFWSIRRYDJJX-UHFFFAOYSA-N
MW324.50 g/mol
LogP7.02
Rot. Bonds

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

1-benzothiophene;thieno[2,3-e][1]benzothiole (PubChem CID 158748847) has the molecular formula C18H12S3 and a molecular weight of 324.50 g/mol. Its IUPAC name is 1-benzothiophene;thieno[2,3-e][1]benzothiole.

Molecular Properties

Compound Name1-benzothiophene;thieno[2,3-e][1]benzothiole
PubChem CID158748847
Molecular FormulaC18H12S3
Molecular Weight324.50 g/mol
Exact Mass324.01
IUPAC Name1-benzothiophene;thieno[2,3-e][1]benzothiole
SMILESc1cc2c(ccc3ccsc32)s1.c1ccc2sccc2c1
InChIInChI=1S/C10H6S2.C8H6S/c1-2-9-8(4-6-11-9)10-7(1)3-5-12-10;1-2-4-8-7(3-1)5-6-9-8/h1-6H;1-6H
InChIKeyINFFWSIRRYDJJX-UHFFFAOYSA-N
XLogP7.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.50
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-benzothiophene;thieno[2,3-e][1]benzothiole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzothiophene;gadolinium;hydrochloride
CID 174939578
1-benzothiophene
CID 175697738
1-benzothiophene
CID 7221
benzene;benzo[e][1]benzothiole
CID 174845416
1-benzothiophene borate
CID 19601166
1-benzothiophene;thiophene
CID 67877268
1-benzothiophene;propan-2-amine
CID 67916286
[1]benzothiolo[7,6-b][1]benzothiole
CID 13164288
1-benzothiophene;cyclopenta-1,3-diene
CID 145348127
1-benzothiophene;ethane;propan-2-one
CID 90838293
benzo[e][1]benzothiole;benzo[f][1]benzothiole;bis(benzo[g][1]benzothiole);1-benzothiophene;bis(dibenzothiophene);4,6-diphenyldibenzothiophene;ethane;naphtho[1,2-b][1]benzothiole;12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 158948770
thieno[3,2-b][1]benzothiole
CID 605457

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophene;thieno[2,3-e][1]benzothiole?
The IUPAC name of 1-benzothiophene;thieno[2,3-e][1]benzothiole (CID 158748847) is 1-benzothiophene;thieno[2,3-e][1]benzothiole.
What is the SMILES notation for 1-benzothiophene;thieno[2,3-e][1]benzothiole?
The canonical SMILES for 1-benzothiophene;thieno[2,3-e][1]benzothiole is c1cc2c(ccc3ccsc32)s1.c1ccc2sccc2c1.
What is the InChIKey of 1-benzothiophene;thieno[2,3-e][1]benzothiole?
The InChIKey is INFFWSIRRYDJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6S2.C8H6S/c1-2-9-8(4-6-11-9)10-7(1)3-5-12-10;1-2-4-8-7(3-1)5-6-9-8/h1-6H;1-6H.
What are the key properties of 1-benzothiophene;thieno[2,3-e][1]benzothiole?
1-benzothiophene;thieno[2,3-e][1]benzothiole has a molecular weight of 324.50 g/mol, XLogP of 7.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophene;thieno[2,3-e][1]benzothiole is sourced from PubChem (CID 158748847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).