2-ethylsulfanyl-1,3-dimethoxybenzene

C10H14O2S — CID 12913383

IUPAC2-ethylsulfanyl-1,3-dimethoxybenzene
SMILESCCSc1c(OC)cccc1OC
InChIInChI=1S/C10H14O2S/c1-4-13-10-8(11-2)6-5-7-9(10)12-3/h5-7H,4H2,1-3H3
InChIKeyUOEYVBHUBALBHN-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.82
Rot. Bonds4

About 2-ethylsulfanyl-1,3-dimethoxybenzene

2-ethylsulfanyl-1,3-dimethoxybenzene (PubChem CID 12913383) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-ethylsulfanyl-1,3-dimethoxybenzene.

Molecular Properties

Compound Name2-ethylsulfanyl-1,3-dimethoxybenzene
PubChem CID12913383
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name2-ethylsulfanyl-1,3-dimethoxybenzene
SMILESCCSc1c(OC)cccc1OC
InChIInChI=1S/C10H14O2S/c1-4-13-10-8(11-2)6-5-7-9(10)12-3/h5-7H,4H2,1-3H3
InChIKeyUOEYVBHUBALBHN-UHFFFAOYSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(isocyanomethylsulfanyl)-1,3-dimethoxybenzene
CID 123602936
2-chloro-1-ethylsulfanyl-3-methoxybenzene
CID 91876115
1-(2,6-dimethoxyphenyl)-2-ethylsulfanylethanol
CID 116810152
1-(3-methoxy-2-methylsulfanylphenyl)ethanone
CID 117286399
2-(3-chlorophenyl)sulfanyl-1,3-dimethoxybenzene
CID 132568881
(4-ethylsulfanylphenyl)-(2-methoxyphenyl)methanamine
CID 106848520
N-(2-ethylsulfanylphenyl)-2,6-dimethoxybenzamide
CID 92646111
1-(1,1-dideuterio(113C)ethylsulfanyl)-2-methoxybenzene
CID 58500338
1-[(1R,2S)-1,2-bis(ethylsulfanyl)-2-(2-methoxyphenyl)ethyl]-2-methoxybenzene
CID 101140556
2,3-bis(ethylsulfanyl)-5,8-dimethoxyquinoxaline
CID 15350040
(2,6-dimethoxyphenyl)-diethyltellanium
CID 10905938
1-heptylsulfanyl-2-methoxynaphthalene
CID 10755818

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1,3-dimethoxybenzene?
The IUPAC name of 2-ethylsulfanyl-1,3-dimethoxybenzene (CID 12913383) is 2-ethylsulfanyl-1,3-dimethoxybenzene.
What is the SMILES notation for 2-ethylsulfanyl-1,3-dimethoxybenzene?
The canonical SMILES for 2-ethylsulfanyl-1,3-dimethoxybenzene is CCSc1c(OC)cccc1OC.
What is the InChIKey of 2-ethylsulfanyl-1,3-dimethoxybenzene?
The InChIKey is UOEYVBHUBALBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-4-13-10-8(11-2)6-5-7-9(10)12-3/h5-7H,4H2,1-3H3.
What are the key properties of 2-ethylsulfanyl-1,3-dimethoxybenzene?
2-ethylsulfanyl-1,3-dimethoxybenzene has a molecular weight of 198.29 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1,3-dimethoxybenzene is sourced from PubChem (CID 12913383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).