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

C9H10ClFOS — CID 164893633

IUPAC1-chloro-2-ethoxy-4-fluoro-3-methylsulfanylbenzene
SMILESCCOc1c(Cl)ccc(F)c1SC
InChIInChI=1S/C9H10ClFOS/c1-3-12-8-6(10)4-5-7(11)9(8)13-2/h4-5H,3H2,1-2H3
InChIKeyMZGCLHMAKINTKF-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.60
Rot. Bonds3

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

1-chloro-2-ethoxy-4-fluoro-3-methylsulfanylbenzene (PubChem CID 164893633) has the molecular formula C9H10ClFOS and a molecular weight of 220.70 g/mol. Its IUPAC name is 1-chloro-2-ethoxy-4-fluoro-3-methylsulfanylbenzene.

Molecular Properties

Compound Name1-chloro-2-ethoxy-4-fluoro-3-methylsulfanylbenzene
PubChem CID164893633
Molecular FormulaC9H10ClFOS
Molecular Weight220.70 g/mol
Exact Mass220.01
IUPAC Name1-chloro-2-ethoxy-4-fluoro-3-methylsulfanylbenzene
SMILESCCOc1c(Cl)ccc(F)c1SC
InChIInChI=1S/C9H10ClFOS/c1-3-12-8-6(10)4-5-7(11)9(8)13-2/h4-5H,3H2,1-2H3
InChIKeyMZGCLHMAKINTKF-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 174673959
CID 174673959
ethyl 3-chloro-2-ethoxy-6-fluorobenzoate
CID 163198213
2-ethoxy-1,3-difluoro-4-methylsulfanylbenzene
CID 164894235
1-chloro-2-ethoxy-3,4-dimethylbenzene
CID 143804425
2-chloro-1,4-difluoro-3-methylsulfanylbenzene
CID 119011938
2-ethoxy-1,4-difluoro-3-methoxybenzene
CID 146035302
1,4-dichloro-2,3-bis(methylsulfanyl)benzene
CID 129229080
3-(4-chloro-3-ethoxy-2-methylsulfanylphenyl)-1-cyclopropyl-3-iminopropan-1-one
CID 54125024
1-bromo-4-chloro-3-ethoxy-2-methylbenzene
CID 171000252
1-chloro-4-[2-(4-ethoxyphenyl)ethynyl]-2-fluorobenzene
CID 67858430
4-chloro-2-ethoxy-3-fluorobenzaldehyde
CID 163198085
3-ethoxy-2,4-difluorobenzenesulfonyl chloride
CID 86811459

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-ethoxy-4-fluoro-3-methylsulfanylbenzene?
The IUPAC name of 1-chloro-2-ethoxy-4-fluoro-3-methylsulfanylbenzene (CID 164893633) is 1-chloro-2-ethoxy-4-fluoro-3-methylsulfanylbenzene.
What is the SMILES notation for 1-chloro-2-ethoxy-4-fluoro-3-methylsulfanylbenzene?
The canonical SMILES for 1-chloro-2-ethoxy-4-fluoro-3-methylsulfanylbenzene is CCOc1c(Cl)ccc(F)c1SC.
What is the InChIKey of 1-chloro-2-ethoxy-4-fluoro-3-methylsulfanylbenzene?
The InChIKey is MZGCLHMAKINTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFOS/c1-3-12-8-6(10)4-5-7(11)9(8)13-2/h4-5H,3H2,1-2H3.
What are the key properties of 1-chloro-2-ethoxy-4-fluoro-3-methylsulfanylbenzene?
1-chloro-2-ethoxy-4-fluoro-3-methylsulfanylbenzene has a molecular weight of 220.70 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethoxy-4-fluoro-3-methylsulfanylbenzene is sourced from PubChem (CID 164893633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).