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

C14H8S2 — CID 683562

IUPAC[1]benzothiolo[2,3-b][1]benzothiole
SMILESc1ccc2c(c1)sc1sc3ccccc3c12
InChIInChI=1S/C14H8S2/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)16-14(13)15-11/h1-8H
InChIKeyJHJWIJYPMMSYMQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP5.27
Rot. Bonds

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

[1]benzothiolo[2,3-b][1]benzothiole (PubChem CID 683562) has the molecular formula C14H8S2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [1]benzothiolo[2,3-b][1]benzothiole.

Molecular Properties

Compound Name[1]benzothiolo[2,3-b][1]benzothiole
PubChem CID683562
Molecular FormulaC14H8S2
Molecular Weight240.35 g/mol
Exact Mass240.01
IUPAC Name[1]benzothiolo[2,3-b][1]benzothiole
SMILESc1ccc2c(c1)sc1sc3ccccc3c12
InChIInChI=1S/C14H8S2/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)16-14(13)15-11/h1-8H
InChIKeyJHJWIJYPMMSYMQ-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.35
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [1]benzothiolo[2,3-b][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

10,12,14,16,18-pentathiaheptacyclo[13.10.0.02,13.03,11.04,9.017,25.019,24]pentacosa-1(15),2(13),3(11),4,6,8,17(25),19,21,23-decaene
CID 132936745
9,11,20,22-tetrathiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3,5,7,13(21),14,16,18-nonaene
CID 102289463
dibenzothiophene;methane
CID 162233710
1-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-b][1]benzothiole
CID 166872383
bis(dibenzothiophene);ethane
CID 143921746
12,14-dithiahexacyclo[11.11.0.02,11.04,9.015,24.017,22]tetracosa-1(13),2,4,6,8,10,15,17,19,21,23-undecaene
CID 102138832
1-methyldibenzothiophene
CID 23839
16-phenyl-19,21-dithia-16-azaoctacyclo[15.14.0.02,15.03,8.09,14.018,29.020,28.022,27]hentriaconta-1(17),2(15),3,5,7,9,11,13,18(29),20(28),22,24,26,30-tetradecaene
CID 118602581
(1Z,10Z,19Z,28Z)-9,12,27,30-tetrathianonacyclo[27.7.0.02,10.03,8.011,19.013,18.020,28.021,26.031,36]hexatriaconta-1,3,5,7,10,13,15,17,19,21,23,25,28,31,33,35-hexadecaene
CID 15554848
dibenzothiophene;formaldehyde
CID 20556925
3,26-dithiaheptacyclo[13.11.1.12,10.04,9.019,27.020,25.014,28]octacosa-1,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tridecaene
CID 149009096
13,14-bis(5-methylthiophen-2-yl)-8,10,12-trithiatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),13-hexaene
CID 102455386

Frequently Asked Questions

What is the IUPAC name of [1]benzothiolo[2,3-b][1]benzothiole?
The IUPAC name of [1]benzothiolo[2,3-b][1]benzothiole (CID 683562) is [1]benzothiolo[2,3-b][1]benzothiole.
What is the SMILES notation for [1]benzothiolo[2,3-b][1]benzothiole?
The canonical SMILES for [1]benzothiolo[2,3-b][1]benzothiole is c1ccc2c(c1)sc1sc3ccccc3c12.
What is the InChIKey of [1]benzothiolo[2,3-b][1]benzothiole?
The InChIKey is JHJWIJYPMMSYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8S2/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)16-14(13)15-11/h1-8H.
What are the key properties of [1]benzothiolo[2,3-b][1]benzothiole?
[1]benzothiolo[2,3-b][1]benzothiole has a molecular weight of 240.35 g/mol, XLogP of 5.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzothiolo[2,3-b][1]benzothiole is sourced from PubChem (CID 683562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).