ethane;5-ethylsulfanyl-1,2,3-trimethoxybenzene

C15H28O3S — CID 143026754

IUPACethane;5-ethylsulfanyl-1,2,3-trimethoxybenzene
SMILESCC.CC.CCSc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C11H16O3S.2C2H6/c1-5-15-8-6-9(12-2)11(14-4)10(7-8)13-3;2*1-2/h6-7H,5H2,1-4H3;2*1-2H3
InChIKeyXOOSLBCUAUNLHY-UHFFFAOYSA-N
MW288.45 g/mol
LogP4.88
Rot. Bonds5

About ethane;5-ethylsulfanyl-1,2,3-trimethoxybenzene

ethane;5-ethylsulfanyl-1,2,3-trimethoxybenzene (PubChem CID 143026754) has the molecular formula C15H28O3S and a molecular weight of 288.45 g/mol. Its IUPAC name is ethane;5-ethylsulfanyl-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Nameethane;5-ethylsulfanyl-1,2,3-trimethoxybenzene
PubChem CID143026754
Molecular FormulaC15H28O3S
Molecular Weight288.45 g/mol
Exact Mass288.18
IUPAC Nameethane;5-ethylsulfanyl-1,2,3-trimethoxybenzene
SMILESCC.CC.CCSc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C11H16O3S.2C2H6/c1-5-15-8-6-9(12-2)11(14-4)10(7-8)13-3;2*1-2/h6-7H,5H2,1-4H3;2*1-2H3
InChIKeyXOOSLBCUAUNLHY-UHFFFAOYSA-N
XLogP4.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.45
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethylsulfanyl-2-methoxy-1-methylbenzene
CID 91876133
5-(bromomethyl)-1,2,3-tri((113C)methoxy)benzene
CID 71752807
6-ethylsulfanyl-4-methoxy-2-methyl-1,3-benzodioxole
CID 67561160
3-ethylsulfanyl-6-(3,4,5-trimethoxyphenyl)pyridazine
CID 7672970
1-(4-ethylsulfanyl-2-methoxyphenyl)propan-2-amine
CID 165123611
2-(3,4,5-trimethoxyphenyl)ethylsilane
CID 175460216
5-[1,4-dimethoxy-4-(3,4,5-trimethoxyphenyl)butyl]-1,2,3-trimethoxybenzene
CID 15310594
N-ethyl-2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 66204962
ethane;1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
CID 144562754
(2R)-2-(3,4,5-trimethoxyphenyl)butanoic acid
CID 40634420
5-ethylsulfanyl-2-methoxybenzoic acid;methanamine
CID 166157652
2-ethylsulfanyl-4,5-dimethoxyaniline
CID 12694267

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethylsulfanyl-1,2,3-trimethoxybenzene?
The IUPAC name of ethane;5-ethylsulfanyl-1,2,3-trimethoxybenzene (CID 143026754) is ethane;5-ethylsulfanyl-1,2,3-trimethoxybenzene.
What is the SMILES notation for ethane;5-ethylsulfanyl-1,2,3-trimethoxybenzene?
The canonical SMILES for ethane;5-ethylsulfanyl-1,2,3-trimethoxybenzene is CC.CC.CCSc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of ethane;5-ethylsulfanyl-1,2,3-trimethoxybenzene?
The InChIKey is XOOSLBCUAUNLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3S.2C2H6/c1-5-15-8-6-9(12-2)11(14-4)10(7-8)13-3;2*1-2/h6-7H,5H2,1-4H3;2*1-2H3.
What are the key properties of ethane;5-ethylsulfanyl-1,2,3-trimethoxybenzene?
ethane;5-ethylsulfanyl-1,2,3-trimethoxybenzene has a molecular weight of 288.45 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethylsulfanyl-1,2,3-trimethoxybenzene is sourced from PubChem (CID 143026754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).