benzo[f][1]benzothiol-2-ol

C12H8OS — CID 70996641

IUPACbenzo[f][1]benzothiol-2-ol
SMILESOc1cc2cc3ccccc3cc2s1
InChIInChI=1S/C12H8OS/c13-12-7-10-5-8-3-1-2-4-9(8)6-11(10)14-12/h1-7,13H
InChIKeyKOUKRUWBOKWWGK-UHFFFAOYSA-N
MW200.26 g/mol
LogP3.76
Rot. Bonds

About benzo[f][1]benzothiol-2-ol

benzo[f][1]benzothiol-2-ol (PubChem CID 70996641) has the molecular formula C12H8OS and a molecular weight of 200.26 g/mol. Its IUPAC name is benzo[f][1]benzothiol-2-ol.

Molecular Properties

Compound Namebenzo[f][1]benzothiol-2-ol
PubChem CID70996641
Molecular FormulaC12H8OS
Molecular Weight200.26 g/mol
Exact Mass200.03
IUPAC Namebenzo[f][1]benzothiol-2-ol
SMILESOc1cc2cc3ccccc3cc2s1
InChIInChI=1S/C12H8OS/c13-12-7-10-5-8-3-1-2-4-9(8)6-11(10)14-12/h1-7,13H
InChIKeyKOUKRUWBOKWWGK-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze benzo[f][1]benzothiol-2-ol 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

thieno[2,3-b]pyridin-2-ol
CID 89200152
2-hydroxy-1-benzothiophene-5,6-dicarbonitrile
CID 130816987
2-tert-butylbenzo[f][1]benzothiole
CID 121274220
2-(10-benzo[f][1]benzothiol-2-ylanthracen-9-yl)benzo[f][1]benzothiole
CID 135030438
CID 158474185
CID 158474185
anthracene;silane
CID 131739126
lithium anthracene
CID 22662646
dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
CID 54171203
anthracene;vanadium
CID 173418141
5-amino-6-methyl-1-benzothiophen-2-ol
CID 130788839
6-amino-5-methyl-1-benzothiophen-2-ol
CID 130788844
7,17-bis(2-tetracen-2-ylethenyl)-6,18-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),16-nonaene
CID 76589926

Frequently Asked Questions

What is the IUPAC name of benzo[f][1]benzothiol-2-ol?
The IUPAC name of benzo[f][1]benzothiol-2-ol (CID 70996641) is benzo[f][1]benzothiol-2-ol.
What is the SMILES notation for benzo[f][1]benzothiol-2-ol?
The canonical SMILES for benzo[f][1]benzothiol-2-ol is Oc1cc2cc3ccccc3cc2s1.
What is the InChIKey of benzo[f][1]benzothiol-2-ol?
The InChIKey is KOUKRUWBOKWWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8OS/c13-12-7-10-5-8-3-1-2-4-9(8)6-11(10)14-12/h1-7,13H.
What are the key properties of benzo[f][1]benzothiol-2-ol?
benzo[f][1]benzothiol-2-ol has a molecular weight of 200.26 g/mol, XLogP of 3.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[f][1]benzothiol-2-ol is sourced from PubChem (CID 70996641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).