2-fluoro-6-methylsulfanylbenzaldehyde

C8H7FOS — CID 19007532

IUPAC2-fluoro-6-methylsulfanylbenzaldehyde
SMILESCSc1cccc(F)c1C=O
InChIInChI=1S/C8H7FOS/c1-11-8-4-2-3-7(9)6(8)5-10/h2-5H,1H3
InChIKeyYHFJYKGTZBMBQQ-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.36
Rot. Bonds2

About 2-fluoro-6-methylsulfanylbenzaldehyde

2-fluoro-6-methylsulfanylbenzaldehyde (PubChem CID 19007532) has the molecular formula C8H7FOS and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-fluoro-6-methylsulfanylbenzaldehyde.

Molecular Properties

Compound Name2-fluoro-6-methylsulfanylbenzaldehyde
PubChem CID19007532
Molecular FormulaC8H7FOS
Molecular Weight170.21 g/mol
Exact Mass170.02
IUPAC Name2-fluoro-6-methylsulfanylbenzaldehyde
SMILESCSc1cccc(F)c1C=O
InChIInChI=1S/C8H7FOS/c1-11-8-4-2-3-7(9)6(8)5-10/h2-5H,1H3
InChIKeyYHFJYKGTZBMBQQ-UHFFFAOYSA-N
XLogP2.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(Methylthio)benzaldehyde
CID 76985
2-Methylsulfonylbenzaldehyde
CID 220377
2-(Tert-Butylthio)Benzaldehyde
CID 2776920
4-[(Trifluoromethyl)sulfanyl]benzaldehyde
CID 2777846
p-(Methylsulphinyl)benzaldehyde
CID 3015943
4-((tert-Butyl)sulphanyl)benzaldehyde
CID 11401312
2-(Methylthio)benzaldehyde
CID 286443
1-(2-(Methylsulfanyl)phenyl)ethan-1-one
CID 10888285
3-(Methylsulfanyl)benzaldehyde
CID 12721171
4-[(Difluoromethyl)sulfanyl]benzaldehyde
CID 14421292
2'-Thiomethyl-2,2,2-trifluoroacetophenone
CID 2760615
4-Methylsulfanylbenzoyl fluoride
CID 14669961

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methylsulfanylbenzaldehyde?
The IUPAC name of 2-fluoro-6-methylsulfanylbenzaldehyde (CID 19007532) is 2-fluoro-6-methylsulfanylbenzaldehyde.
What is the SMILES notation for 2-fluoro-6-methylsulfanylbenzaldehyde?
The canonical SMILES for 2-fluoro-6-methylsulfanylbenzaldehyde is CSc1cccc(F)c1C=O.
What is the InChIKey of 2-fluoro-6-methylsulfanylbenzaldehyde?
The InChIKey is YHFJYKGTZBMBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FOS/c1-11-8-4-2-3-7(9)6(8)5-10/h2-5H,1H3.
What are the key properties of 2-fluoro-6-methylsulfanylbenzaldehyde?
2-fluoro-6-methylsulfanylbenzaldehyde has a molecular weight of 170.21 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methylsulfanylbenzaldehyde is sourced from PubChem (CID 19007532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).