1-chloro-2-fluoro-3-methoxy-4-methylsulfanylbenzene

C8H8ClFOS — CID 164893202

IUPAC1-chloro-2-fluoro-3-methoxy-4-methylsulfanylbenzene
SMILESCOc1c(SC)ccc(Cl)c1F
InChIInChI=1S/C8H8ClFOS/c1-11-8-6(12-2)4-3-5(9)7(8)10/h3-4H,1-2H3
InChIKeyAHKQALQWCOFKIK-UHFFFAOYSA-N
MW206.67 g/mol
LogP3.21
Rot. Bonds2

About 1-chloro-2-fluoro-3-methoxy-4-methylsulfanylbenzene

1-chloro-2-fluoro-3-methoxy-4-methylsulfanylbenzene (PubChem CID 164893202) has the molecular formula C8H8ClFOS and a molecular weight of 206.67 g/mol. Its IUPAC name is 1-chloro-2-fluoro-3-methoxy-4-methylsulfanylbenzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-3-methoxy-4-methylsulfanylbenzene
PubChem CID164893202
Molecular FormulaC8H8ClFOS
Molecular Weight206.67 g/mol
Exact Mass206.00
IUPAC Name1-chloro-2-fluoro-3-methoxy-4-methylsulfanylbenzene
SMILESCOc1c(SC)ccc(Cl)c1F
InChIInChI=1S/C8H8ClFOS/c1-11-8-6(12-2)4-3-5(9)7(8)10/h3-4H,1-2H3
InChIKeyAHKQALQWCOFKIK-UHFFFAOYSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-2-methoxy-3-methylsulfanylbenzene
CID 91880715
1-chloro-4-(4-chloro-2-fluoro-3-methoxyphenyl)-3-fluoro-2-methoxybenzene
CID 122700549
3-fluoro-1,2-dimethoxy-4-methylsulfanylbenzene
CID 130784452
1-chloro-3-fluoro-2,4-bis(methylsulfanyl)benzene
CID 171366507
1-chloro-2-fluoro-3-methoxy-4-nitrobenzene
CID 130615182
(E)-3-(4-chloro-3-fluoro-2-methoxyphenyl)prop-2-en-1-amine
CID 117307315
1-(6-chloro-2-fluoro-3-methylsulfanylphenyl)-2,2-difluoroethanone
CID 171366434
1-bromo-4-chloro-3-methoxy-2-methylsulfanylbenzene
CID 131308860
1-(2,3-dimethoxy-4-methylsulfanylphenyl)ethanol
CID 84692045
6-chloro-2-fluoro-3-methylsulfanylbenzaldehyde
CID 164891692
ethyl 6-chloro-2-fluoro-3-methylsulfanylbenzoate
CID 164894969
(4-chloro-3-fluoro-2-methoxyphenyl)methyl methanesulfonate
CID 171823283

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-3-methoxy-4-methylsulfanylbenzene?
The IUPAC name of 1-chloro-2-fluoro-3-methoxy-4-methylsulfanylbenzene (CID 164893202) is 1-chloro-2-fluoro-3-methoxy-4-methylsulfanylbenzene.
What is the SMILES notation for 1-chloro-2-fluoro-3-methoxy-4-methylsulfanylbenzene?
The canonical SMILES for 1-chloro-2-fluoro-3-methoxy-4-methylsulfanylbenzene is COc1c(SC)ccc(Cl)c1F.
What is the InChIKey of 1-chloro-2-fluoro-3-methoxy-4-methylsulfanylbenzene?
The InChIKey is AHKQALQWCOFKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFOS/c1-11-8-6(12-2)4-3-5(9)7(8)10/h3-4H,1-2H3.
What are the key properties of 1-chloro-2-fluoro-3-methoxy-4-methylsulfanylbenzene?
1-chloro-2-fluoro-3-methoxy-4-methylsulfanylbenzene has a molecular weight of 206.67 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-3-methoxy-4-methylsulfanylbenzene is sourced from PubChem (CID 164893202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).