1,2-bis(ethenyl)-3-[[3-ethenyl-2-[(Z)-prop-1-enyl]-6-sulfanyloxyphenyl]methyl]-4-sulfanyloxybenzene

C22H22O2S2 — CID 144596295

IUPAC1,2-bis(ethenyl)-3-[[3-ethenyl-2-[(Z)-prop-1-enyl]-6-sulfanyloxyphenyl]methyl]-4-sulfanyloxybenzene
SMILESC=Cc1ccc(OS)c(Cc2c(OS)ccc(C=C)c2/C=C\C)c1C=C
InChIInChI=1S/C22H22O2S2/c1-5-9-18-16(7-3)11-13-22(24-26)20(18)14-19-17(8-4)15(6-2)10-12-21(19)23-25/h5-13,25-26H,2-4,14H2,1H3/b9-5-
InChIKeyABRBFJHPNLYTLV-UITAMQMPSA-N
MW382.55 g/mol
LogP6.69
Rot. Bonds8

About 1,2-bis(ethenyl)-3-[[3-ethenyl-2-[(Z)-prop-1-enyl]-6-sulfanyloxyphenyl]methyl]-4-sulfanyloxybenzene

1,2-bis(ethenyl)-3-[[3-ethenyl-2-[(Z)-prop-1-enyl]-6-sulfanyloxyphenyl]methyl]-4-sulfanyloxybenzene (PubChem CID 144596295) has the molecular formula C22H22O2S2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 1,2-bis(ethenyl)-3-[[3-ethenyl-2-[(Z)-prop-1-enyl]-6-sulfanyloxyphenyl]methyl]-4-sulfanyloxybenzene.

Molecular Properties

Compound Name1,2-bis(ethenyl)-3-[[3-ethenyl-2-[(Z)-prop-1-enyl]-6-sulfanyloxyphenyl]methyl]-4-sulfanyloxybenzene
PubChem CID144596295
Molecular FormulaC22H22O2S2
Molecular Weight382.55 g/mol
Exact Mass382.11
IUPAC Name1,2-bis(ethenyl)-3-[[3-ethenyl-2-[(Z)-prop-1-enyl]-6-sulfanyloxyphenyl]methyl]-4-sulfanyloxybenzene
SMILESC=Cc1ccc(OS)c(Cc2c(OS)ccc(C=C)c2/C=C\C)c1C=C
InChIInChI=1S/C22H22O2S2/c1-5-9-18-16(7-3)11-13-22(24-26)20(18)14-19-17(8-4)15(6-2)10-12-21(19)23-25/h5-13,25-26H,2-4,14H2,1H3/b9-5-
InChIKeyABRBFJHPNLYTLV-UITAMQMPSA-N
XLogP6.69
TPSA18.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[2,3-bis(ethenyl)-6-sulfanyloxyphenyl]methylhydrazine
CID 144596300
1-ethenyl-3-methoxy-2-[(Z)-prop-1-enyl]benzene
CID 88997100
1-ethenyl-2-ethyl-3-prop-1-enylbenzene
CID 90726745
3-[10-[[2,3-bis(ethenyl)-6-(2-methoxyethoxy)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaen-1-yl]oxypropan-1-ol
CID 177290569
6-bromo-3-ethenyl-2-[(Z)-prop-1-enyl]benzaldehyde
CID 143407181
1-[(3,5-dimethylphenyl)methyl]-3-ethenyl-2-[(Z)-prop-1-enyl]benzene
CID 144614062
2-ethenyl-1-methoxy-4-propan-2-yl-3-[(Z)-prop-1-enyl]benzene
CID 145207355
ethane;1-ethenyl-2-[(Z)-prop-1-enyl]benzene;methylphosphane;propane
CID 142250050
6-ethenyl-2-iodo-5-[(Z)-prop-1-enyl]quinazoline
CID 155153283
3-[(1Z)-buta-1,3-dienyl]-1-[(Z)-but-2-en-2-yl]-4-ethenyl-2-[(Z)-prop-1-enyl]benzene
CID 174358180
3-chloro-1,2-bis(ethenyl)-4-methylbenzene
CID 156751029
6-ethenyl-N,N-diphenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine
CID 170405383

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenyl)-3-[[3-ethenyl-2-[(Z)-prop-1-enyl]-6-sulfanyloxyphenyl]methyl]-4-sulfanyloxybenzene?
The IUPAC name of 1,2-bis(ethenyl)-3-[[3-ethenyl-2-[(Z)-prop-1-enyl]-6-sulfanyloxyphenyl]methyl]-4-sulfanyloxybenzene (CID 144596295) is 1,2-bis(ethenyl)-3-[[3-ethenyl-2-[(Z)-prop-1-enyl]-6-sulfanyloxyphenyl]methyl]-4-sulfanyloxybenzene.
What is the SMILES notation for 1,2-bis(ethenyl)-3-[[3-ethenyl-2-[(Z)-prop-1-enyl]-6-sulfanyloxyphenyl]methyl]-4-sulfanyloxybenzene?
The canonical SMILES for 1,2-bis(ethenyl)-3-[[3-ethenyl-2-[(Z)-prop-1-enyl]-6-sulfanyloxyphenyl]methyl]-4-sulfanyloxybenzene is C=Cc1ccc(OS)c(Cc2c(OS)ccc(C=C)c2/C=C\C)c1C=C.
What is the InChIKey of 1,2-bis(ethenyl)-3-[[3-ethenyl-2-[(Z)-prop-1-enyl]-6-sulfanyloxyphenyl]methyl]-4-sulfanyloxybenzene?
The InChIKey is ABRBFJHPNLYTLV-UITAMQMPSA-N. The full InChI is InChI=1S/C22H22O2S2/c1-5-9-18-16(7-3)11-13-22(24-26)20(18)14-19-17(8-4)15(6-2)10-12-21(19)23-25/h5-13,25-26H,2-4,14H2,1H3/b9-5-.
What are the key properties of 1,2-bis(ethenyl)-3-[[3-ethenyl-2-[(Z)-prop-1-enyl]-6-sulfanyloxyphenyl]methyl]-4-sulfanyloxybenzene?
1,2-bis(ethenyl)-3-[[3-ethenyl-2-[(Z)-prop-1-enyl]-6-sulfanyloxyphenyl]methyl]-4-sulfanyloxybenzene has a molecular weight of 382.55 g/mol, XLogP of 6.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenyl)-3-[[3-ethenyl-2-[(Z)-prop-1-enyl]-6-sulfanyloxyphenyl]methyl]-4-sulfanyloxybenzene is sourced from PubChem (CID 144596295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).