4-methoxythieno[2,3-f][1]benzothiol-8-ol

C11H8O2S2 — CID 144770940

IUPAC4-methoxythieno[2,3-f][1]benzothiol-8-ol
SMILESCOc1c2ccsc2c(O)c2ccsc12
InChIInChI=1S/C11H8O2S2/c1-13-9-7-3-5-14-10(7)8(12)6-2-4-15-11(6)9/h2-5,12H,1H3
InChIKeyACMVVOTXDMHCEV-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.83
Rot. Bonds1

About 4-methoxythieno[2,3-f][1]benzothiol-8-ol

4-methoxythieno[2,3-f][1]benzothiol-8-ol (PubChem CID 144770940) has the molecular formula C11H8O2S2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-methoxythieno[2,3-f][1]benzothiol-8-ol.

Molecular Properties

Compound Name4-methoxythieno[2,3-f][1]benzothiol-8-ol
PubChem CID144770940
Molecular FormulaC11H8O2S2
Molecular Weight236.32 g/mol
Exact Mass236.00
IUPAC Name4-methoxythieno[2,3-f][1]benzothiol-8-ol
SMILESCOc1c2ccsc2c(O)c2ccsc12
InChIInChI=1S/C11H8O2S2/c1-13-9-7-3-5-14-10(7)8(12)6-2-4-15-11(6)9/h2-5,12H,1H3
InChIKeyACMVVOTXDMHCEV-UHFFFAOYSA-N
XLogP3.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-7-methoxy-1-benzothiophen-4-ol
CID 130857297
7-methoxy-6-methylsulfanyl-1-benzothiophen-4-ol
CID 130821413
4,6-diiodo-7-methoxy-1-benzothiophene
CID 130926208
4-methoxy-1-benzothiophen-7-ol
CID 119095255
4-[2-[2-[2-[(4-hydroxy-1-benzothiophen-7-yl)oxy]ethoxy]ethoxy]ethoxy]thieno[2,3-f][1]benzothiol-8-ol
CID 126515396
4-iodo-6,7-dimethoxy-1-benzothiophene
CID 131033981
5-bromo-4,7-dimethoxy-1-benzothiophene
CID 130914431
4,7-dimethoxy-1-benzothiophene
CID 11095506
5-(bromomethyl)-7-methoxy-1-benzothiophen-6-ol
CID 130956494
(7-fluoro-4-methoxy-1-benzothiophen-5-yl)methanol
CID 131000571
6-amino-4-methoxy-1-benzothiophen-5-ol
CID 84666228
5-chloro-4-methoxy-1-benzothiophen-7-amine
CID 130823667

Frequently Asked Questions

What is the IUPAC name of 4-methoxythieno[2,3-f][1]benzothiol-8-ol?
The IUPAC name of 4-methoxythieno[2,3-f][1]benzothiol-8-ol (CID 144770940) is 4-methoxythieno[2,3-f][1]benzothiol-8-ol.
What is the SMILES notation for 4-methoxythieno[2,3-f][1]benzothiol-8-ol?
The canonical SMILES for 4-methoxythieno[2,3-f][1]benzothiol-8-ol is COc1c2ccsc2c(O)c2ccsc12.
What is the InChIKey of 4-methoxythieno[2,3-f][1]benzothiol-8-ol?
The InChIKey is ACMVVOTXDMHCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O2S2/c1-13-9-7-3-5-14-10(7)8(12)6-2-4-15-11(6)9/h2-5,12H,1H3.
What are the key properties of 4-methoxythieno[2,3-f][1]benzothiol-8-ol?
4-methoxythieno[2,3-f][1]benzothiol-8-ol has a molecular weight of 236.32 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxythieno[2,3-f][1]benzothiol-8-ol is sourced from PubChem (CID 144770940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).