6-fluoro-2-methylsulfanyl-1-benzothiophene-7-thiol

C9H7FS3 — CID 130898870

IUPAC6-fluoro-2-methylsulfanyl-1-benzothiophene-7-thiol
SMILESCSc1cc2ccc(F)c(S)c2s1
InChIInChI=1S/C9H7FS3/c1-12-7-4-5-2-3-6(10)8(11)9(5)13-7/h2-4,11H,1H3
InChIKeyRQHQKHBHSLOXQO-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.05
Rot. Bonds1

About 6-fluoro-2-methylsulfanyl-1-benzothiophene-7-thiol

6-fluoro-2-methylsulfanyl-1-benzothiophene-7-thiol (PubChem CID 130898870) has the molecular formula C9H7FS3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 6-fluoro-2-methylsulfanyl-1-benzothiophene-7-thiol.

Molecular Properties

Compound Name6-fluoro-2-methylsulfanyl-1-benzothiophene-7-thiol
PubChem CID130898870
Molecular FormulaC9H7FS3
Molecular Weight230.35 g/mol
Exact Mass229.97
IUPAC Name6-fluoro-2-methylsulfanyl-1-benzothiophene-7-thiol
SMILESCSc1cc2ccc(F)c(S)c2s1
InChIInChI=1S/C9H7FS3/c1-12-7-4-5-2-3-6(10)8(11)9(5)13-7/h2-4,11H,1H3
InChIKeyRQHQKHBHSLOXQO-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-fluoro-2-methylsulfanyl-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

6-fluoro-2-methylsulfanyl-1-benzothiophen-7-ol
CID 131219113
7-iodo-6-methyl-2-methylsulfanyl-1-benzothiophene
CID 130821607
(7-methyl-2-methylsulfanyl-1-benzothiophen-6-yl)methanol
CID 130944032
6-amino-2-methylsulfanyl-1-benzothiophene-7-carbonitrile
CID 130883281
4-bromo-7-fluoro-2-methylsulfanyl-1-benzothiophene
CID 131091429
6-fluoro-7-methoxy-1-benzothiophene-2-thiol
CID 131124415
5-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene
CID 130821327
6-fluoro-7-methylsulfanyl-1-benzothiophene-2-carbonitrile
CID 130885101
(2-fluoro-7-sulfanyl-1-benzothiophen-6-yl)methanol
CID 130944049
2-fluoro-6-nitro-1-benzothiophene-7-thiol
CID 131150658
7-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-ol
CID 130969983
6-fluoro-3-methoxy-1-benzothiophene-7-thiol
CID 130827059

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methylsulfanyl-1-benzothiophene-7-thiol?
The IUPAC name of 6-fluoro-2-methylsulfanyl-1-benzothiophene-7-thiol (CID 130898870) is 6-fluoro-2-methylsulfanyl-1-benzothiophene-7-thiol.
What is the SMILES notation for 6-fluoro-2-methylsulfanyl-1-benzothiophene-7-thiol?
The canonical SMILES for 6-fluoro-2-methylsulfanyl-1-benzothiophene-7-thiol is CSc1cc2ccc(F)c(S)c2s1.
What is the InChIKey of 6-fluoro-2-methylsulfanyl-1-benzothiophene-7-thiol?
The InChIKey is RQHQKHBHSLOXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FS3/c1-12-7-4-5-2-3-6(10)8(11)9(5)13-7/h2-4,11H,1H3.
What are the key properties of 6-fluoro-2-methylsulfanyl-1-benzothiophene-7-thiol?
6-fluoro-2-methylsulfanyl-1-benzothiophene-7-thiol has a molecular weight of 230.35 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methylsulfanyl-1-benzothiophene-7-thiol is sourced from PubChem (CID 130898870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).