5-chloro-2-(3-fluorophenyl)sulfanylbenzaldehyde

C13H8ClFOS — CID 114863766

IUPAC5-chloro-2-(3-fluorophenyl)sulfanylbenzaldehyde
SMILESO=Cc1cc(Cl)ccc1Sc1cccc(F)c1
InChIInChI=1S/C13H8ClFOS/c14-10-4-5-13(9(6-10)8-16)17-12-3-1-2-11(15)7-12/h1-8H
InChIKeyKYYDKQASBBHEKI-UHFFFAOYSA-N
MW266.72 g/mol
LogP4.44
Rot. Bonds3

About 5-chloro-2-(3-fluorophenyl)sulfanylbenzaldehyde

5-chloro-2-(3-fluorophenyl)sulfanylbenzaldehyde (PubChem CID 114863766) has the molecular formula C13H8ClFOS and a molecular weight of 266.72 g/mol. Its IUPAC name is 5-chloro-2-(3-fluorophenyl)sulfanylbenzaldehyde.

Molecular Properties

Compound Name5-chloro-2-(3-fluorophenyl)sulfanylbenzaldehyde
PubChem CID114863766
Molecular FormulaC13H8ClFOS
Molecular Weight266.72 g/mol
Exact Mass266.00
IUPAC Name5-chloro-2-(3-fluorophenyl)sulfanylbenzaldehyde
SMILESO=Cc1cc(Cl)ccc1Sc1cccc(F)c1
InChIInChI=1S/C13H8ClFOS/c14-10-4-5-13(9(6-10)8-16)17-12-3-1-2-11(15)7-12/h1-8H
InChIKeyKYYDKQASBBHEKI-UHFFFAOYSA-N
XLogP4.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 54.44
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

5-chloro-2-(4-methylphenyl)sulfanylbenzaldehyde
CID 18668911
4-chloro-2-(3-methylphenyl)sulfanylbenzaldehyde
CID 114863720
5-fluoro-2-naphthalen-2-ylsulfanylbenzaldehyde
CID 63802214
5-bromo-2-(4-chlorophenyl)sulfanylbenzaldehyde
CID 87451563
2-[4-chloro-2-(3-fluorophenyl)sulfanylphenyl]acetonitrile
CID 21416194
N-[4-(4-chloro-2-formylphenyl)sulfanylphenyl]acetamide
CID 114863624
5-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]benzaldehyde
CID 114863747
4-bromo-2-(3-chlorophenyl)sulfanylbenzaldehyde
CID 55238384
2-(3-chlorophenyl)sulfanyl-5-fluorobenzoic acid
CID 63673346
5-chloro-2-(2,4-difluorophenyl)benzaldehyde
CID 66158909
[2-(3-chlorophenyl)sulfanyl-5-fluorophenyl]methanamine
CID 63674010
2-(3-chlorophenyl)sulfanyl-5-fluorobenzonitrile
CID 55233121

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-fluorophenyl)sulfanylbenzaldehyde?
The IUPAC name of 5-chloro-2-(3-fluorophenyl)sulfanylbenzaldehyde (CID 114863766) is 5-chloro-2-(3-fluorophenyl)sulfanylbenzaldehyde.
What is the SMILES notation for 5-chloro-2-(3-fluorophenyl)sulfanylbenzaldehyde?
The canonical SMILES for 5-chloro-2-(3-fluorophenyl)sulfanylbenzaldehyde is O=Cc1cc(Cl)ccc1Sc1cccc(F)c1.
What is the InChIKey of 5-chloro-2-(3-fluorophenyl)sulfanylbenzaldehyde?
The InChIKey is KYYDKQASBBHEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFOS/c14-10-4-5-13(9(6-10)8-16)17-12-3-1-2-11(15)7-12/h1-8H.
What are the key properties of 5-chloro-2-(3-fluorophenyl)sulfanylbenzaldehyde?
5-chloro-2-(3-fluorophenyl)sulfanylbenzaldehyde has a molecular weight of 266.72 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-fluorophenyl)sulfanylbenzaldehyde is sourced from PubChem (CID 114863766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).