1-methoxy-2-[(E)-4-(2-methoxyphenyl)sulfanylbut-2-enyl]sulfanylbenzene

C18H20O2S2 — CID 60593855

IUPAC1-methoxy-2-[(E)-4-(2-methoxyphenyl)sulfanylbut-2-enyl]sulfanylbenzene
SMILESCOc1ccccc1SC/C=C/CSc1ccccc1OC
InChIInChI=1S/C18H20O2S2/c1-19-15-9-3-5-11-17(15)21-13-7-8-14-22-18-12-6-4-10-16(18)20-2/h3-12H,13-14H2,1-2H3/b8-7+
InChIKeyWNRWAODSENPYQF-BQYQJAHWSA-N
MW332.49 g/mol
LogP5.14
Rot. Bonds8

About 1-methoxy-2-[(E)-4-(2-methoxyphenyl)sulfanylbut-2-enyl]sulfanylbenzene

1-methoxy-2-[(E)-4-(2-methoxyphenyl)sulfanylbut-2-enyl]sulfanylbenzene (PubChem CID 60593855) has the molecular formula C18H20O2S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-methoxy-2-[(E)-4-(2-methoxyphenyl)sulfanylbut-2-enyl]sulfanylbenzene.

Molecular Properties

Compound Name1-methoxy-2-[(E)-4-(2-methoxyphenyl)sulfanylbut-2-enyl]sulfanylbenzene
PubChem CID60593855
Molecular FormulaC18H20O2S2
Molecular Weight332.49 g/mol
Exact Mass332.09
IUPAC Name1-methoxy-2-[(E)-4-(2-methoxyphenyl)sulfanylbut-2-enyl]sulfanylbenzene
SMILESCOc1ccccc1SC/C=C/CSc1ccccc1OC
InChIInChI=1S/C18H20O2S2/c1-19-15-9-3-5-11-17(15)21-13-7-8-14-22-18-12-6-4-10-16(18)20-2/h3-12H,13-14H2,1-2H3/b8-7+
InChIKeyWNRWAODSENPYQF-BQYQJAHWSA-N
XLogP5.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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1-methoxy-2-(methyldisulfanyl)benzene
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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[(E)-4-(2-methoxyphenyl)sulfanylbut-2-enyl]sulfanylbenzene?
The IUPAC name of 1-methoxy-2-[(E)-4-(2-methoxyphenyl)sulfanylbut-2-enyl]sulfanylbenzene (CID 60593855) is 1-methoxy-2-[(E)-4-(2-methoxyphenyl)sulfanylbut-2-enyl]sulfanylbenzene.
What is the SMILES notation for 1-methoxy-2-[(E)-4-(2-methoxyphenyl)sulfanylbut-2-enyl]sulfanylbenzene?
The canonical SMILES for 1-methoxy-2-[(E)-4-(2-methoxyphenyl)sulfanylbut-2-enyl]sulfanylbenzene is COc1ccccc1SC/C=C/CSc1ccccc1OC.
What is the InChIKey of 1-methoxy-2-[(E)-4-(2-methoxyphenyl)sulfanylbut-2-enyl]sulfanylbenzene?
The InChIKey is WNRWAODSENPYQF-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H20O2S2/c1-19-15-9-3-5-11-17(15)21-13-7-8-14-22-18-12-6-4-10-16(18)20-2/h3-12H,13-14H2,1-2H3/b8-7+.
What are the key properties of 1-methoxy-2-[(E)-4-(2-methoxyphenyl)sulfanylbut-2-enyl]sulfanylbenzene?
1-methoxy-2-[(E)-4-(2-methoxyphenyl)sulfanylbut-2-enyl]sulfanylbenzene has a molecular weight of 332.49 g/mol, XLogP of 5.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[(E)-4-(2-methoxyphenyl)sulfanylbut-2-enyl]sulfanylbenzene is sourced from PubChem (CID 60593855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).