2-ethylsulfinyl-1,3-dimethoxybenzene

C10H14O3S — CID 54447195

IUPAC2-ethylsulfinyl-1,3-dimethoxybenzene
SMILESCCS(=O)c1c(OC)cccc1OC
InChIInChI=1S/C10H14O3S/c1-4-14(11)10-8(12-2)6-5-7-9(10)13-3/h5-7H,4H2,1-3H3
InChIKeyVDTWAMJTHPDAGB-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.83
Rot. Bonds4

About 2-ethylsulfinyl-1,3-dimethoxybenzene

2-ethylsulfinyl-1,3-dimethoxybenzene (PubChem CID 54447195) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-ethylsulfinyl-1,3-dimethoxybenzene.

Molecular Properties

Compound Name2-ethylsulfinyl-1,3-dimethoxybenzene
PubChem CID54447195
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Name2-ethylsulfinyl-1,3-dimethoxybenzene
SMILESCCS(=O)c1c(OC)cccc1OC
InChIInChI=1S/C10H14O3S/c1-4-14(11)10-8(12-2)6-5-7-9(10)13-3/h5-7H,4H2,1-3H3
InChIKeyVDTWAMJTHPDAGB-UHFFFAOYSA-N
XLogP1.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethoxybenzenesulfinic acid
CID 12746143
1,2-dimethoxybenzene;propanal
CID 174258099
propanal;1,2,3-trimethoxybenzene
CID 174975216
1,3-dimethoxy-2-(methoxymethyl)benzene
CID 86183606
CID 102002675
CID 102002675
3-cyclobutyl-5-[[(R)-(2,6-dimethoxyphenyl)sulfinyl]methyl]-4-methyl-1,2,4-triazole
CID 124627633
2-[(Z)-2-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-1,3-dimethoxybenzene
CID 87228066
2-ethylsulfanyl-1,3-dimethoxybenzene
CID 12913383
(2,6-dimethoxyphenyl)-diethyltellanium
CID 10905938
(R)-2-methoxynaphthalene-1-sulfinamide
CID 40542898
2-methoxynaphthalene-1-sulfinic acid
CID 1484864
CID 70867691
CID 70867691

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinyl-1,3-dimethoxybenzene?
The IUPAC name of 2-ethylsulfinyl-1,3-dimethoxybenzene (CID 54447195) is 2-ethylsulfinyl-1,3-dimethoxybenzene.
What is the SMILES notation for 2-ethylsulfinyl-1,3-dimethoxybenzene?
The canonical SMILES for 2-ethylsulfinyl-1,3-dimethoxybenzene is CCS(=O)c1c(OC)cccc1OC.
What is the InChIKey of 2-ethylsulfinyl-1,3-dimethoxybenzene?
The InChIKey is VDTWAMJTHPDAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S/c1-4-14(11)10-8(12-2)6-5-7-9(10)13-3/h5-7H,4H2,1-3H3.
What are the key properties of 2-ethylsulfinyl-1,3-dimethoxybenzene?
2-ethylsulfinyl-1,3-dimethoxybenzene has a molecular weight of 214.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinyl-1,3-dimethoxybenzene is sourced from PubChem (CID 54447195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).