4-ethyl-1-methyl-2-methylsulfinylbenzene;hydrofluoride

C10H15FOS — CID 176665813

IUPAC4-ethyl-1-methyl-2-methylsulfinylbenzene;hydrofluoride
SMILESCCc1ccc(C)c(S(C)=O)c1.F
InChIInChI=1S/C10H14OS.FH/c1-4-9-6-5-8(2)10(7-9)12(3)11;/h5-7H,4H2,1-3H3;1H
InChIKeyYXMVLMNRJOKQEJ-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.45
Rot. Bonds2

About 4-ethyl-1-methyl-2-methylsulfinylbenzene;hydrofluoride

4-ethyl-1-methyl-2-methylsulfinylbenzene;hydrofluoride (PubChem CID 176665813) has the molecular formula C10H15FOS and a molecular weight of 202.29 g/mol. Its IUPAC name is 4-ethyl-1-methyl-2-methylsulfinylbenzene;hydrofluoride.

Molecular Properties

Compound Name4-ethyl-1-methyl-2-methylsulfinylbenzene;hydrofluoride
PubChem CID176665813
Molecular FormulaC10H15FOS
Molecular Weight202.29 g/mol
Exact Mass202.08
IUPAC Name4-ethyl-1-methyl-2-methylsulfinylbenzene;hydrofluoride
SMILESCCc1ccc(C)c(S(C)=O)c1.F
InChIInChI=1S/C10H14OS.FH/c1-4-9-6-5-8(2)10(7-9)12(3)11;/h5-7H,4H2,1-3H3;1H
InChIKeyYXMVLMNRJOKQEJ-UHFFFAOYSA-N
XLogP2.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 79006286
2-chloro-4-ethyl-1-methylbenzene;ethane;methane
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CID 142969887
1,4-diethyl-2-methylbenzene;ethane
CID 158451617
5-ethyl-2-methoxybenzenesulfinamide
CID 170149916
4-ethyl-1-methyl-2-[(2R)-pentan-2-yl]benzene
CID 144520525
ethane;1-methyl-2-methylsulfinylbenzene
CID 143887984
acetylene;1,4-diethyl-2-methylbenzene;ethane
CID 143147503
4-ethyl-2-hexyl-1-methylbenzene
CID 54443410
CID 91872170
CID 91872170
2-ethyl-4-[2-(3-ethyl-4-methylphenyl)ethyl]-1-methylbenzene
CID 123325932
4-ethyl-2-methyl-1-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]benzene
CID 159170617

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methyl-2-methylsulfinylbenzene;hydrofluoride?
The IUPAC name of 4-ethyl-1-methyl-2-methylsulfinylbenzene;hydrofluoride (CID 176665813) is 4-ethyl-1-methyl-2-methylsulfinylbenzene;hydrofluoride.
What is the SMILES notation for 4-ethyl-1-methyl-2-methylsulfinylbenzene;hydrofluoride?
The canonical SMILES for 4-ethyl-1-methyl-2-methylsulfinylbenzene;hydrofluoride is CCc1ccc(C)c(S(C)=O)c1.F.
What is the InChIKey of 4-ethyl-1-methyl-2-methylsulfinylbenzene;hydrofluoride?
The InChIKey is YXMVLMNRJOKQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS.FH/c1-4-9-6-5-8(2)10(7-9)12(3)11;/h5-7H,4H2,1-3H3;1H.
What are the key properties of 4-ethyl-1-methyl-2-methylsulfinylbenzene;hydrofluoride?
4-ethyl-1-methyl-2-methylsulfinylbenzene;hydrofluoride has a molecular weight of 202.29 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methyl-2-methylsulfinylbenzene;hydrofluoride is sourced from PubChem (CID 176665813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).