1,2,3-trimethoxy-5-[2-[[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]benzene

C23H28O8S2 — CID 173037244

IUPAC1,2,3-trimethoxy-5-[2-[[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]benzene
SMILESCOc1cc(C=CS(=O)CS(=O)/C=C\c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C23H28O8S2/c1-26-18-11-16(12-19(27-2)22(18)30-5)7-9-32(24)15-33(25)10-8-17-13-20(28-3)23(31-6)21(14-17)29-4/h7-14H,15H2,1-6H3/b9-7-,10-8?
InChIKeyKCSRJDCZFZYTAX-FWMMZFIKSA-N
MW496.60 g/mol
LogP3.83
Rot. Bonds12

About 1,2,3-trimethoxy-5-[2-[[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]benzene

1,2,3-trimethoxy-5-[2-[[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]benzene (PubChem CID 173037244) has the molecular formula C23H28O8S2 and a molecular weight of 496.60 g/mol. Its IUPAC name is 1,2,3-trimethoxy-5-[2-[[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-5-[2-[[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]benzene
PubChem CID173037244
Molecular FormulaC23H28O8S2
Molecular Weight496.60 g/mol
Exact Mass496.12
IUPAC Name1,2,3-trimethoxy-5-[2-[[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]benzene
SMILESCOc1cc(C=CS(=O)CS(=O)/C=C\c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C23H28O8S2/c1-26-18-11-16(12-19(27-2)22(18)30-5)7-9-32(24)15-33(25)10-8-17-13-20(28-3)23(31-6)21(14-17)29-4/h7-14H,15H2,1-6H3/b9-7-,10-8?
InChIKeyKCSRJDCZFZYTAX-FWMMZFIKSA-N
XLogP3.83
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.60
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-5-[2-[[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]benzene?
The IUPAC name of 1,2,3-trimethoxy-5-[2-[[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]benzene (CID 173037244) is 1,2,3-trimethoxy-5-[2-[[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]benzene.
What is the SMILES notation for 1,2,3-trimethoxy-5-[2-[[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]benzene?
The canonical SMILES for 1,2,3-trimethoxy-5-[2-[[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]benzene is COc1cc(C=CS(=O)CS(=O)/C=C\c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC.
What is the InChIKey of 1,2,3-trimethoxy-5-[2-[[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]benzene?
The InChIKey is KCSRJDCZFZYTAX-FWMMZFIKSA-N. The full InChI is InChI=1S/C23H28O8S2/c1-26-18-11-16(12-19(27-2)22(18)30-5)7-9-32(24)15-33(25)10-8-17-13-20(28-3)23(31-6)21(14-17)29-4/h7-14H,15H2,1-6H3/b9-7-,10-8?.
What are the key properties of 1,2,3-trimethoxy-5-[2-[[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]benzene?
1,2,3-trimethoxy-5-[2-[[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]benzene has a molecular weight of 496.60 g/mol, XLogP of 3.83, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-5-[2-[[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]benzene is sourced from PubChem (CID 173037244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).