[4-[4-(4-prop-2-enoyloxyphenyl)sulfanylphenyl]sulfanylphenyl] prop-2-enoate

C24H18O4S2 — CID 59739086

IUPAC[4-[4-(4-prop-2-enoyloxyphenyl)sulfanylphenyl]sulfanylphenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(Sc2ccc(Sc3ccc(OC(=O)C=C)cc3)cc2)cc1
InChIInChI=1S/C24H18O4S2/c1-3-23(25)27-17-5-9-19(10-6-17)29-21-13-15-22(16-14-21)30-20-11-7-18(8-12-20)28-24(26)4-2/h3-16H,1-2H2
InChIKeyHGICMTADGDSEDZ-UHFFFAOYSA-N
MW434.54 g/mol
LogP6.17
Rot. Bonds8

About [4-[4-(4-prop-2-enoyloxyphenyl)sulfanylphenyl]sulfanylphenyl] prop-2-enoate

[4-[4-(4-prop-2-enoyloxyphenyl)sulfanylphenyl]sulfanylphenyl] prop-2-enoate (PubChem CID 59739086) has the molecular formula C24H18O4S2 and a molecular weight of 434.54 g/mol. Its IUPAC name is [4-[4-(4-prop-2-enoyloxyphenyl)sulfanylphenyl]sulfanylphenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-[4-(4-prop-2-enoyloxyphenyl)sulfanylphenyl]sulfanylphenyl] prop-2-enoate
PubChem CID59739086
Molecular FormulaC24H18O4S2
Molecular Weight434.54 g/mol
Exact Mass434.06
IUPAC Name[4-[4-(4-prop-2-enoyloxyphenyl)sulfanylphenyl]sulfanylphenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(Sc2ccc(Sc3ccc(OC(=O)C=C)cc3)cc2)cc1
InChIInChI=1S/C24H18O4S2/c1-3-23(25)27-17-5-9-19(10-6-17)29-21-13-15-22(16-14-21)30-20-11-7-18(8-12-20)28-24(26)4-2/h3-16H,1-2H2
InChIKeyHGICMTADGDSEDZ-UHFFFAOYSA-N
XLogP6.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[[4-bis[(4-prop-2-enoyloxyphenyl)sulfanyl]bismuthanylphenyl]-(4-prop-2-enoyloxyphenyl)sulfanylbismuthanyl]sulfanylphenyl] prop-2-enoate
CID 172785244
[4-[[3,5-bis[bis[(4-prop-2-enoyloxyphenyl)sulfanyl]bismuthanyl]phenyl]-(4-prop-2-enoyloxyphenyl)sulfanylbismuthanyl]sulfanylphenyl] prop-2-enoate
CID 172856676
[4-[bis(4-prop-2-enoyloxyphenyl)methyl]phenyl] prop-2-enoate
CID 90224723
(4-phenylperoxyphenyl) prop-2-enoate
CID 163991970
(4-hydroxyphenyl) prop-2-enoate;methoxymethane
CID 67882332
(4-prop-2-enoyloxyphenyl)phosphonic acid
CID 69294557
(4-ethynylphenyl) prop-2-enoate
CID 71343404
[4-(2-oxoethyl)phenyl] prop-2-enoate
CID 141400952
[4-[2-(4-acetyloxyphenyl)ethynyl]phenyl] prop-2-enoate
CID 123613741
[3-[4-[4-[4-[2,3-di(prop-2-enoyloxy)propoxy]phenyl]sulfanylphenyl]sulfanylphenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate
CID 59739137
2-[4-(4-ethylsulfanylphenyl)sulfanylphenyl]sulfanylethyl prop-2-enoate
CID 90919294
[4-[[4-phenylsulfanyl-6-[4-[[4-phenylsulfanyl-6-(4-prop-2-enoyloxyanilino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]phenyl] prop-2-enoate
CID 155065687

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-prop-2-enoyloxyphenyl)sulfanylphenyl]sulfanylphenyl] prop-2-enoate?
The IUPAC name of [4-[4-(4-prop-2-enoyloxyphenyl)sulfanylphenyl]sulfanylphenyl] prop-2-enoate (CID 59739086) is [4-[4-(4-prop-2-enoyloxyphenyl)sulfanylphenyl]sulfanylphenyl] prop-2-enoate.
What is the SMILES notation for [4-[4-(4-prop-2-enoyloxyphenyl)sulfanylphenyl]sulfanylphenyl] prop-2-enoate?
The canonical SMILES for [4-[4-(4-prop-2-enoyloxyphenyl)sulfanylphenyl]sulfanylphenyl] prop-2-enoate is C=CC(=O)Oc1ccc(Sc2ccc(Sc3ccc(OC(=O)C=C)cc3)cc2)cc1.
What is the InChIKey of [4-[4-(4-prop-2-enoyloxyphenyl)sulfanylphenyl]sulfanylphenyl] prop-2-enoate?
The InChIKey is HGICMTADGDSEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O4S2/c1-3-23(25)27-17-5-9-19(10-6-17)29-21-13-15-22(16-14-21)30-20-11-7-18(8-12-20)28-24(26)4-2/h3-16H,1-2H2.
What are the key properties of [4-[4-(4-prop-2-enoyloxyphenyl)sulfanylphenyl]sulfanylphenyl] prop-2-enoate?
[4-[4-(4-prop-2-enoyloxyphenyl)sulfanylphenyl]sulfanylphenyl] prop-2-enoate has a molecular weight of 434.54 g/mol, XLogP of 6.17, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-prop-2-enoyloxyphenyl)sulfanylphenyl]sulfanylphenyl] prop-2-enoate is sourced from PubChem (CID 59739086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).