1-(ethylsulfinylmethyl)-4-methoxybenzene

C10H14O2S — CID 11074368

IUPAC1-(ethylsulfinylmethyl)-4-methoxybenzene
SMILESCCS(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C10H14O2S/c1-3-13(11)8-9-4-6-10(12-2)7-5-9/h4-7H,3,8H2,1-2H3
InChIKeySNBPCTJXKIMNAN-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.96
Rot. Bonds4

About 1-(ethylsulfinylmethyl)-4-methoxybenzene

1-(ethylsulfinylmethyl)-4-methoxybenzene (PubChem CID 11074368) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-(ethylsulfinylmethyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(ethylsulfinylmethyl)-4-methoxybenzene
PubChem CID11074368
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name1-(ethylsulfinylmethyl)-4-methoxybenzene
SMILESCCS(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C10H14O2S/c1-3-13(11)8-9-4-6-10(12-2)7-5-9/h4-7H,3,8H2,1-2H3
InChIKeySNBPCTJXKIMNAN-UHFFFAOYSA-N
XLogP1.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis[[(S)-(4-methoxyphenyl)methylsulfinyl]methoxy]-oxophosphanium
CID 175504393
3-[(4-methoxyphenyl)methylsulfinyl]propanoic acid
CID 60982858
1-(4-isothiocyanatobutylsulfinylmethyl)-4-methoxybenzene
CID 71699230
(2R)-2-amino-3-[(4-methoxyphenyl)methylsulfinyl]propanoic acid
CID 131858350
1-methoxy-4-[[(R)-phenylsulfinyl]methyl]benzene
CID 40517522
1-(4-chlorophenyl)-N-methoxy-2-[(R)-(4-methoxyphenyl)methylsulfinyl]ethanimine
CID 11875143
4-[(4-methoxyphenyl)methylsulfinyl]aniline
CID 61368872
2-[(4-methoxyphenyl)methylsulfinyl]propanoic acid
CID 60982599
1-(diethoxyphosphorylmethyl)-4-methoxybenzene
CID 4063826
sodium (4-methoxyphenyl) sulfite
CID 175083766
1-methoxy-4-[3-(prop-2-enyldisulfanyl)prop-2-enylsulfinylmethyl]benzene
CID 70685172
1-[[[(Z)-3-benzylsulfinylprop-1-enyl]disulfanyl]methyl]-4-methoxybenzene
CID 139340850

Frequently Asked Questions

What is the IUPAC name of 1-(ethylsulfinylmethyl)-4-methoxybenzene?
The IUPAC name of 1-(ethylsulfinylmethyl)-4-methoxybenzene (CID 11074368) is 1-(ethylsulfinylmethyl)-4-methoxybenzene.
What is the SMILES notation for 1-(ethylsulfinylmethyl)-4-methoxybenzene?
The canonical SMILES for 1-(ethylsulfinylmethyl)-4-methoxybenzene is CCS(=O)Cc1ccc(OC)cc1.
What is the InChIKey of 1-(ethylsulfinylmethyl)-4-methoxybenzene?
The InChIKey is SNBPCTJXKIMNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-3-13(11)8-9-4-6-10(12-2)7-5-9/h4-7H,3,8H2,1-2H3.
What are the key properties of 1-(ethylsulfinylmethyl)-4-methoxybenzene?
1-(ethylsulfinylmethyl)-4-methoxybenzene has a molecular weight of 198.29 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylsulfinylmethyl)-4-methoxybenzene is sourced from PubChem (CID 11074368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).