2-fluoro-3-iodo-1-benzothiophene-7-thiol

C8H4FIS2 — CID 130855321

IUPAC2-fluoro-3-iodo-1-benzothiophene-7-thiol
SMILESFc1sc2c(S)cccc2c1I
InChIInChI=1S/C8H4FIS2/c9-8-6(10)4-2-1-3-5(11)7(4)12-8/h1-3,11H
InChIKeyITYCJLSKGGJAJK-UHFFFAOYSA-N
MW310.16 g/mol
LogP3.93
Rot. Bonds

About 2-fluoro-3-iodo-1-benzothiophene-7-thiol

2-fluoro-3-iodo-1-benzothiophene-7-thiol (PubChem CID 130855321) has the molecular formula C8H4FIS2 and a molecular weight of 310.16 g/mol. Its IUPAC name is 2-fluoro-3-iodo-1-benzothiophene-7-thiol.

Molecular Properties

Compound Name2-fluoro-3-iodo-1-benzothiophene-7-thiol
PubChem CID130855321
Molecular FormulaC8H4FIS2
Molecular Weight310.16 g/mol
Exact Mass309.88
IUPAC Name2-fluoro-3-iodo-1-benzothiophene-7-thiol
SMILESFc1sc2c(S)cccc2c1I
InChIInChI=1S/C8H4FIS2/c9-8-6(10)4-2-1-3-5(11)7(4)12-8/h1-3,11H
InChIKeyITYCJLSKGGJAJK-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-fluoro-3-iodo-1-benzothiophene-7-thiol 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

3-iodo-2-methyl-1-benzothiophene-7-thiol
CID 130821468
3-iodo-7-sulfanyl-1-benzothiophene-2-carbaldehyde
CID 130901437
2-fluoro-7-sulfanyl-1-benzothiophene-3-carbaldehyde
CID 130854629
3-ethyl-2-fluoro-1-benzothiophene-7-thiol
CID 131014424
2-iodo-3-methyl-1-benzothiophene-7-thiol
CID 130870883
(2-iodo-7-sulfanyl-1-benzothiophen-3-yl)methanol
CID 131150724
7-fluoro-2,3-diiodo-1-benzothiophene
CID 130925510
2-chloro-3-(chloromethyl)-1-benzothiophene-7-thiol
CID 131190976
3-(chloromethyl)-2-methyl-1-benzothiophene-7-thiol
CID 130970964
3-nitro-7-sulfanyl-1-benzothiophen-2-ol
CID 130854646
7-iodo-1-benzothiophene-2,3-diamine
CID 131001187
3-chloro-2,7-difluoro-1-benzothiophene
CID 130926138

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-iodo-1-benzothiophene-7-thiol?
The IUPAC name of 2-fluoro-3-iodo-1-benzothiophene-7-thiol (CID 130855321) is 2-fluoro-3-iodo-1-benzothiophene-7-thiol.
What is the SMILES notation for 2-fluoro-3-iodo-1-benzothiophene-7-thiol?
The canonical SMILES for 2-fluoro-3-iodo-1-benzothiophene-7-thiol is Fc1sc2c(S)cccc2c1I.
What is the InChIKey of 2-fluoro-3-iodo-1-benzothiophene-7-thiol?
The InChIKey is ITYCJLSKGGJAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FIS2/c9-8-6(10)4-2-1-3-5(11)7(4)12-8/h1-3,11H.
What are the key properties of 2-fluoro-3-iodo-1-benzothiophene-7-thiol?
2-fluoro-3-iodo-1-benzothiophene-7-thiol has a molecular weight of 310.16 g/mol, XLogP of 3.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-iodo-1-benzothiophene-7-thiol is sourced from PubChem (CID 130855321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).