5-fluoro-6-methylsulfanyl-1-benzothiophene-7-carbaldehyde

C10H7FOS2 — CID 131002434

IUPAC5-fluoro-6-methylsulfanyl-1-benzothiophene-7-carbaldehyde
SMILESCSc1c(F)cc2ccsc2c1C=O
InChIInChI=1S/C10H7FOS2/c1-13-10-7(5-12)9-6(2-3-14-9)4-8(10)11/h2-5H,1H3
InChIKeyKFXAXUDWNZNHJA-UHFFFAOYSA-N
MW226.30 g/mol
LogP3.57
Rot. Bonds2

About 5-fluoro-6-methylsulfanyl-1-benzothiophene-7-carbaldehyde

5-fluoro-6-methylsulfanyl-1-benzothiophene-7-carbaldehyde (PubChem CID 131002434) has the molecular formula C10H7FOS2 and a molecular weight of 226.30 g/mol. Its IUPAC name is 5-fluoro-6-methylsulfanyl-1-benzothiophene-7-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-6-methylsulfanyl-1-benzothiophene-7-carbaldehyde
PubChem CID131002434
Molecular FormulaC10H7FOS2
Molecular Weight226.30 g/mol
Exact Mass225.99
IUPAC Name5-fluoro-6-methylsulfanyl-1-benzothiophene-7-carbaldehyde
SMILESCSc1c(F)cc2ccsc2c1C=O
InChIInChI=1S/C10H7FOS2/c1-13-10-7(5-12)9-6(2-3-14-9)4-8(10)11/h2-5H,1H3
InChIKeyKFXAXUDWNZNHJA-UHFFFAOYSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-6-methoxy-1-benzothiophene-7-carbaldehyde
CID 130941216
6-ethyl-5-methyl-1-benzothiophene-7-carbaldehyde
CID 130961943
5-(chloromethyl)-6-hydroxy-1-benzothiophene-7-carbaldehyde
CID 130884429
6-methylsulfanyl-1-benzothiophene-5,7-diamine
CID 131053735
5-fluoro-4-methylsulfanyl-1-benzothiophen-7-ol
CID 131196121
6-iodo-4-methylsulfanyl-1-benzothiophene-5-carbaldehyde
CID 130941137
5-chloro-6-(hydroxymethyl)-1-benzothiophene-7-carbaldehyde
CID 130956878
4-bromo-6-methylsulfanyl-1-benzothiophene-7-carbaldehyde
CID 130839267
7-fluoro-6-hydroxy-1-benzothiophene-5-carbaldehyde
CID 131150700
6-bromo-7-methylsulfanyl-1-benzothiophene-2-carbaldehyde
CID 130951685
5-fluoro-6-sulfanyl-1-benzothiophen-7-ol
CID 131196097
7-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene
CID 130854626

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methylsulfanyl-1-benzothiophene-7-carbaldehyde?
The IUPAC name of 5-fluoro-6-methylsulfanyl-1-benzothiophene-7-carbaldehyde (CID 131002434) is 5-fluoro-6-methylsulfanyl-1-benzothiophene-7-carbaldehyde.
What is the SMILES notation for 5-fluoro-6-methylsulfanyl-1-benzothiophene-7-carbaldehyde?
The canonical SMILES for 5-fluoro-6-methylsulfanyl-1-benzothiophene-7-carbaldehyde is CSc1c(F)cc2ccsc2c1C=O.
What is the InChIKey of 5-fluoro-6-methylsulfanyl-1-benzothiophene-7-carbaldehyde?
The InChIKey is KFXAXUDWNZNHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FOS2/c1-13-10-7(5-12)9-6(2-3-14-9)4-8(10)11/h2-5H,1H3.
What are the key properties of 5-fluoro-6-methylsulfanyl-1-benzothiophene-7-carbaldehyde?
5-fluoro-6-methylsulfanyl-1-benzothiophene-7-carbaldehyde has a molecular weight of 226.30 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methylsulfanyl-1-benzothiophene-7-carbaldehyde is sourced from PubChem (CID 131002434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).