ethane;1-methoxy-2-(4-methyl-2-sulfanyloxyphenyl)-4-sulfanyloxybenzene

C16H20O3S2 — CID 144756523

IUPACethane;1-methoxy-2-(4-methyl-2-sulfanyloxyphenyl)-4-sulfanyloxybenzene
SMILESCC.COc1ccc(OS)cc1-c1ccc(C)cc1OS
InChIInChI=1S/C14H14O3S2.C2H6/c1-9-3-5-11(14(7-9)17-19)12-8-10(16-18)4-6-13(12)15-2;1-2/h3-8,18-19H,1-2H3;1-2H3
InChIKeyQEKKMCPZJMLNIS-UHFFFAOYSA-N
MW324.47 g/mol
LogP5.14
Rot. Bonds4

About ethane;1-methoxy-2-(4-methyl-2-sulfanyloxyphenyl)-4-sulfanyloxybenzene

ethane;1-methoxy-2-(4-methyl-2-sulfanyloxyphenyl)-4-sulfanyloxybenzene (PubChem CID 144756523) has the molecular formula C16H20O3S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is ethane;1-methoxy-2-(4-methyl-2-sulfanyloxyphenyl)-4-sulfanyloxybenzene.

Molecular Properties

Compound Nameethane;1-methoxy-2-(4-methyl-2-sulfanyloxyphenyl)-4-sulfanyloxybenzene
PubChem CID144756523
Molecular FormulaC16H20O3S2
Molecular Weight324.47 g/mol
Exact Mass324.09
IUPAC Nameethane;1-methoxy-2-(4-methyl-2-sulfanyloxyphenyl)-4-sulfanyloxybenzene
SMILESCC.COc1ccc(OS)cc1-c1ccc(C)cc1OS
InChIInChI=1S/C14H14O3S2.C2H6/c1-9-3-5-11(14(7-9)17-19)12-8-10(16-18)4-6-13(12)15-2;1-2/h3-8,18-19H,1-2H3;1-2H3
InChIKeyQEKKMCPZJMLNIS-UHFFFAOYSA-N
XLogP5.14
TPSA27.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.47
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethoxyphenyl)-1,4-dimethylbenzene
CID 9003880
2-[2-(2,5-dimethoxyphenyl)-4-methylphenyl]ethanamine
CID 137354597
1-methoxy-2-[2-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]-4-methylbenzene
CID 13360661
O-(2-methoxy-4-methylphenyl)hydroxylamine
CID 56611281
2-(disulfanyl)-1-methoxy-4-methylbenzene
CID 117033813
2,6-bis(2-methoxy-5-methylphenyl)phenol
CID 71343652
ethane;1,2,3,4,5-pentafluoro-6-(2-methoxy-5-methylphenyl)benzene
CID 144565369
3-[4-methoxy-3-(2-methoxy-4-methylphenyl)phenyl]propanoic acid
CID 167844333
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
2-(5-chloro-2-methoxyphenyl)-5-methylaniline
CID 82767066
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
2-fluoro-1-(2-methoxyphenyl)-4-methylbenzene
CID 155698567

Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxy-2-(4-methyl-2-sulfanyloxyphenyl)-4-sulfanyloxybenzene?
The IUPAC name of ethane;1-methoxy-2-(4-methyl-2-sulfanyloxyphenyl)-4-sulfanyloxybenzene (CID 144756523) is ethane;1-methoxy-2-(4-methyl-2-sulfanyloxyphenyl)-4-sulfanyloxybenzene.
What is the SMILES notation for ethane;1-methoxy-2-(4-methyl-2-sulfanyloxyphenyl)-4-sulfanyloxybenzene?
The canonical SMILES for ethane;1-methoxy-2-(4-methyl-2-sulfanyloxyphenyl)-4-sulfanyloxybenzene is CC.COc1ccc(OS)cc1-c1ccc(C)cc1OS.
What is the InChIKey of ethane;1-methoxy-2-(4-methyl-2-sulfanyloxyphenyl)-4-sulfanyloxybenzene?
The InChIKey is QEKKMCPZJMLNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S2.C2H6/c1-9-3-5-11(14(7-9)17-19)12-8-10(16-18)4-6-13(12)15-2;1-2/h3-8,18-19H,1-2H3;1-2H3.
What are the key properties of ethane;1-methoxy-2-(4-methyl-2-sulfanyloxyphenyl)-4-sulfanyloxybenzene?
ethane;1-methoxy-2-(4-methyl-2-sulfanyloxyphenyl)-4-sulfanyloxybenzene has a molecular weight of 324.47 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxy-2-(4-methyl-2-sulfanyloxyphenyl)-4-sulfanyloxybenzene is sourced from PubChem (CID 144756523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).