1-[(E)-2-methoxy-1-phenylethenyl]-2-(phenylsulfanylmethylsulfanyl)benzene

C22H20OS2 — CID 101427447

IUPAC1-[(E)-2-methoxy-1-phenylethenyl]-2-(phenylsulfanylmethylsulfanyl)benzene
SMILESCO/C=C(\c1ccccc1)c1ccccc1SCSc1ccccc1
InChIInChI=1S/C22H20OS2/c1-23-16-21(18-10-4-2-5-11-18)20-14-8-9-15-22(20)25-17-24-19-12-6-3-7-13-19/h2-16H,17H2,1H3/b21-16+
InChIKeyMDOLEPDYTZDQPR-LTGZKZEYSA-N
MW364.54 g/mol
LogP6.56
Rot. Bonds7

About 1-[(E)-2-methoxy-1-phenylethenyl]-2-(phenylsulfanylmethylsulfanyl)benzene

1-[(E)-2-methoxy-1-phenylethenyl]-2-(phenylsulfanylmethylsulfanyl)benzene (PubChem CID 101427447) has the molecular formula C22H20OS2 and a molecular weight of 364.54 g/mol. Its IUPAC name is 1-[(E)-2-methoxy-1-phenylethenyl]-2-(phenylsulfanylmethylsulfanyl)benzene.

Molecular Properties

Compound Name1-[(E)-2-methoxy-1-phenylethenyl]-2-(phenylsulfanylmethylsulfanyl)benzene
PubChem CID101427447
Molecular FormulaC22H20OS2
Molecular Weight364.54 g/mol
Exact Mass364.10
IUPAC Name1-[(E)-2-methoxy-1-phenylethenyl]-2-(phenylsulfanylmethylsulfanyl)benzene
SMILESCO/C=C(\c1ccccc1)c1ccccc1SCSc1ccccc1
InChIInChI=1S/C22H20OS2/c1-23-16-21(18-10-4-2-5-11-18)20-14-8-9-15-22(20)25-17-24-19-12-6-3-7-13-19/h2-16H,17H2,1H3/b21-16+
InChIKeyMDOLEPDYTZDQPR-LTGZKZEYSA-N
XLogP6.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.54
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethane;phenylsulfanylmethylsulfanylbenzene
CID 158144370
2-[(E)-2-methoxy-1-(4-methoxyphenyl)ethenyl]benzenethiol
CID 46918589
(E)-2-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-3-methoxyprop-2-enoic acid
CID 18650173
methyl (E)-2-[2-[(3-benzoylphenyl)sulfanylmethyl]phenyl]-3-methoxyprop-2-enoate
CID 71472937
(E)-2-[2-[(2,5-dibromophenyl)methylsulfanyl]phenyl]-3-methoxyprop-2-enoic acid
CID 67827593
methyl 2-[2-[(2,6-dimethylphenyl)methylsulfanyl]phenyl]-3-methoxyprop-2-enoate
CID 54144947
[(E)-2-(2-chlorophenyl)-2-phenylethenyl] dimethyl phosphate
CID 174766716
(E)-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-3-methoxyprop-2-enoic acid
CID 67827424
methyl 3-phenylsulfanyl-2-(phenylsulfanylmethyl)propanoate
CID 13347330
1-ethylsulfanyl-2-(1-methoxyethenyl)benzene
CID 167284079
methyl (Z)-2-benzoyl-3-methoxyprop-2-enoate
CID 59834383
2-[(2-benzoylphenyl)sulfanylmethyl]butanal
CID 22325223

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-methoxy-1-phenylethenyl]-2-(phenylsulfanylmethylsulfanyl)benzene?
The IUPAC name of 1-[(E)-2-methoxy-1-phenylethenyl]-2-(phenylsulfanylmethylsulfanyl)benzene (CID 101427447) is 1-[(E)-2-methoxy-1-phenylethenyl]-2-(phenylsulfanylmethylsulfanyl)benzene.
What is the SMILES notation for 1-[(E)-2-methoxy-1-phenylethenyl]-2-(phenylsulfanylmethylsulfanyl)benzene?
The canonical SMILES for 1-[(E)-2-methoxy-1-phenylethenyl]-2-(phenylsulfanylmethylsulfanyl)benzene is CO/C=C(\c1ccccc1)c1ccccc1SCSc1ccccc1.
What is the InChIKey of 1-[(E)-2-methoxy-1-phenylethenyl]-2-(phenylsulfanylmethylsulfanyl)benzene?
The InChIKey is MDOLEPDYTZDQPR-LTGZKZEYSA-N. The full InChI is InChI=1S/C22H20OS2/c1-23-16-21(18-10-4-2-5-11-18)20-14-8-9-15-22(20)25-17-24-19-12-6-3-7-13-19/h2-16H,17H2,1H3/b21-16+.
What are the key properties of 1-[(E)-2-methoxy-1-phenylethenyl]-2-(phenylsulfanylmethylsulfanyl)benzene?
1-[(E)-2-methoxy-1-phenylethenyl]-2-(phenylsulfanylmethylsulfanyl)benzene has a molecular weight of 364.54 g/mol, XLogP of 6.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-methoxy-1-phenylethenyl]-2-(phenylsulfanylmethylsulfanyl)benzene is sourced from PubChem (CID 101427447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).