1,2-dichloro-4-[(2-chloro-6-fluorophenyl)methylsulfanyl]benzene

C13H8Cl3FS — CID 2804332

IUPAC1,2-dichloro-4-[(2-chloro-6-fluorophenyl)methylsulfanyl]benzene
SMILESFc1cccc(Cl)c1CSc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl3FS/c14-10-2-1-3-13(17)9(10)7-18-8-4-5-11(15)12(16)6-8/h1-6H,7H2
InChIKeyGSCDVWAMLDYGMX-UHFFFAOYSA-N
MW321.63 g/mol
LogP6.08
Rot. Bonds3

About 1,2-dichloro-4-[(2-chloro-6-fluorophenyl)methylsulfanyl]benzene

1,2-dichloro-4-[(2-chloro-6-fluorophenyl)methylsulfanyl]benzene (PubChem CID 2804332) has the molecular formula C13H8Cl3FS and a molecular weight of 321.63 g/mol. Its IUPAC name is 1,2-dichloro-4-[(2-chloro-6-fluorophenyl)methylsulfanyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[(2-chloro-6-fluorophenyl)methylsulfanyl]benzene
PubChem CID2804332
Molecular FormulaC13H8Cl3FS
Molecular Weight321.63 g/mol
Exact Mass319.94
IUPAC Name1,2-dichloro-4-[(2-chloro-6-fluorophenyl)methylsulfanyl]benzene
SMILESFc1cccc(Cl)c1CSc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl3FS/c14-10-2-1-3-13(17)9(10)7-18-8-4-5-11(15)12(16)6-8/h1-6H,7H2
InChIKeyGSCDVWAMLDYGMX-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.63
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2-chloro-6-fluorophenyl)methylsulfanyl]aniline
CID 79133653
2-chloro-4-[(2,6-difluorophenyl)methylsulfanyl]aniline
CID 114930416
[4-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]methanol
CID 113371991
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]benzaldehyde
CID 66356398
4-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridine-2-carboxylic acid
CID 79554792
1-chloro-3-fluoro-2-[(4-nitrophenyl)sulfanylmethyl]benzene
CID 2826272
N-[[3-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]methyl]ethanamine
CID 66349206
(1R,5R)-3,7-bis[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,5-dimethyl-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole
CID 36688554
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]aniline
CID 2780046
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(3,4-dichlorophenyl)-4-ethyl-1,2,4-triazole
CID 19729170
1-chloro-2-fluoro-4-[(2-fluorophenyl)methylsulfanyl]benzene
CID 91658064
6-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridin-3-amine
CID 43301399

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[(2-chloro-6-fluorophenyl)methylsulfanyl]benzene?
The IUPAC name of 1,2-dichloro-4-[(2-chloro-6-fluorophenyl)methylsulfanyl]benzene (CID 2804332) is 1,2-dichloro-4-[(2-chloro-6-fluorophenyl)methylsulfanyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[(2-chloro-6-fluorophenyl)methylsulfanyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[(2-chloro-6-fluorophenyl)methylsulfanyl]benzene is Fc1cccc(Cl)c1CSc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-[(2-chloro-6-fluorophenyl)methylsulfanyl]benzene?
The InChIKey is GSCDVWAMLDYGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3FS/c14-10-2-1-3-13(17)9(10)7-18-8-4-5-11(15)12(16)6-8/h1-6H,7H2.
What are the key properties of 1,2-dichloro-4-[(2-chloro-6-fluorophenyl)methylsulfanyl]benzene?
1,2-dichloro-4-[(2-chloro-6-fluorophenyl)methylsulfanyl]benzene has a molecular weight of 321.63 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[(2-chloro-6-fluorophenyl)methylsulfanyl]benzene is sourced from PubChem (CID 2804332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).