1-ethoxy-2-fluoro-3-methyl-5-methylsulfanylbenzene

C10H13FOS — CID 164892495

IUPAC1-ethoxy-2-fluoro-3-methyl-5-methylsulfanylbenzene
SMILESCCOc1cc(SC)cc(C)c1F
InChIInChI=1S/C10H13FOS/c1-4-12-9-6-8(13-3)5-7(2)10(9)11/h5-6H,4H2,1-3H3
InChIKeyYBSCJSGCHPSJRV-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.25
Rot. Bonds3

About 1-ethoxy-2-fluoro-3-methyl-5-methylsulfanylbenzene

1-ethoxy-2-fluoro-3-methyl-5-methylsulfanylbenzene (PubChem CID 164892495) has the molecular formula C10H13FOS and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-ethoxy-2-fluoro-3-methyl-5-methylsulfanylbenzene.

Molecular Properties

Compound Name1-ethoxy-2-fluoro-3-methyl-5-methylsulfanylbenzene
PubChem CID164892495
Molecular FormulaC10H13FOS
Molecular Weight200.28 g/mol
Exact Mass200.07
IUPAC Name1-ethoxy-2-fluoro-3-methyl-5-methylsulfanylbenzene
SMILESCCOc1cc(SC)cc(C)c1F
InChIInChI=1S/C10H13FOS/c1-4-12-9-6-8(13-3)5-7(2)10(9)11/h5-6H,4H2,1-3H3
InChIKeyYBSCJSGCHPSJRV-UHFFFAOYSA-N
XLogP3.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-ethoxy-4-fluoro-5-methylbenzoate
CID 164893368
1-ethoxy-2-fluoro-3-methylbenzene
CID 59732440
2-fluoro-1,3-dimethoxy-5-methylsulfanylbenzene
CID 130925961
1-ethoxy-2,5-difluoro-4-methylbenzene
CID 58718803
6-bromo-4-ethoxy-2,3-difluorophenol
CID 84707726
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
2-ethoxy-5-methylsulfanylaniline
CID 97035048
(3-ethoxy-4-fluoro-5-methylsulfanylphenyl)boronic acid
CID 164891608
5-ethyl-2-fluoro-1-(2-fluoroethoxy)-3-methylbenzene
CID 143548000
1-bromo-5-ethoxy-2-fluoro-3-methylbenzene
CID 164891518
1-bromo-3-ethoxy-5-methylsulfanylbenzene
CID 164894269
5-ethoxy-2-fluoro-3-methylphenol
CID 164891522

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-fluoro-3-methyl-5-methylsulfanylbenzene?
The IUPAC name of 1-ethoxy-2-fluoro-3-methyl-5-methylsulfanylbenzene (CID 164892495) is 1-ethoxy-2-fluoro-3-methyl-5-methylsulfanylbenzene.
What is the SMILES notation for 1-ethoxy-2-fluoro-3-methyl-5-methylsulfanylbenzene?
The canonical SMILES for 1-ethoxy-2-fluoro-3-methyl-5-methylsulfanylbenzene is CCOc1cc(SC)cc(C)c1F.
What is the InChIKey of 1-ethoxy-2-fluoro-3-methyl-5-methylsulfanylbenzene?
The InChIKey is YBSCJSGCHPSJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FOS/c1-4-12-9-6-8(13-3)5-7(2)10(9)11/h5-6H,4H2,1-3H3.
What are the key properties of 1-ethoxy-2-fluoro-3-methyl-5-methylsulfanylbenzene?
1-ethoxy-2-fluoro-3-methyl-5-methylsulfanylbenzene has a molecular weight of 200.28 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-fluoro-3-methyl-5-methylsulfanylbenzene is sourced from PubChem (CID 164892495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).