2,3,5-trimethoxy-4-[(2,4,5-trimethoxythiophen-3-yl)disulfanyl]thiophene

C14H18O6S4 — CID 139909565

IUPAC2,3,5-trimethoxy-4-[(2,4,5-trimethoxythiophen-3-yl)disulfanyl]thiophene
SMILESCOc1sc(OC)c(SSc2c(OC)sc(OC)c2OC)c1OC
InChIInChI=1S/C14H18O6S4/c1-15-7-9(13(19-5)21-11(7)17-3)23-24-10-8(16-2)12(18-4)22-14(10)20-6/h1-6H3
InChIKeyUEXPDCLFKPRHEB-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.66
Rot. Bonds9

About 2,3,5-trimethoxy-4-[(2,4,5-trimethoxythiophen-3-yl)disulfanyl]thiophene

2,3,5-trimethoxy-4-[(2,4,5-trimethoxythiophen-3-yl)disulfanyl]thiophene (PubChem CID 139909565) has the molecular formula C14H18O6S4 and a molecular weight of 410.56 g/mol. Its IUPAC name is 2,3,5-trimethoxy-4-[(2,4,5-trimethoxythiophen-3-yl)disulfanyl]thiophene.

Molecular Properties

Compound Name2,3,5-trimethoxy-4-[(2,4,5-trimethoxythiophen-3-yl)disulfanyl]thiophene
PubChem CID139909565
Molecular FormulaC14H18O6S4
Molecular Weight410.56 g/mol
Exact Mass410.00
IUPAC Name2,3,5-trimethoxy-4-[(2,4,5-trimethoxythiophen-3-yl)disulfanyl]thiophene
SMILESCOc1sc(OC)c(SSc2c(OC)sc(OC)c2OC)c1OC
InChIInChI=1S/C14H18O6S4/c1-15-7-9(13(19-5)21-11(7)17-3)23-24-10-8(16-2)12(18-4)22-14(10)20-6/h1-6H3
InChIKeyUEXPDCLFKPRHEB-UHFFFAOYSA-N
XLogP4.66
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trimethoxythiophen-2-amine
CID 98774107
2,3-dibromo-4,5-dimethoxythiophene
CID 178076239
7-bromo-2-methoxy-3-methylsulfanyl-1-benzothiophene
CID 130985434
2,3,7,8,12,13,17,18-octamethoxy-5,10,15,28-tetrathianonacyclo[17.8.1.04,26.06,25.09,24.011,23.014,22.016,21.020,27]octacosa-1,3,6,8,11,13,16,18,20,22,24,26-dodecaene
CID 135031647
1,2,4,5-tetramethoxy-3-methylsulfanyl-6-(2,3,5,6-tetramethoxy-4-methylsulfanylphenyl)sulfanylbenzene
CID 139623450
4-bromo-3,5-dimethoxythiophene-2-carboxylate
CID 138106546
3,4-dimethoxy-5-[(E)-prop-1-enyl]thiophene-2-thiol
CID 144596608
5-bromo-3-tert-butyl-2-methoxythiophene
CID 153449523
1,3,5-triiodo-2,4,6-trimethoxybenzene
CID 15832239
2,4,6-trimethoxybenzene-1,3,5-triol
CID 102382483
1,2,3,4,5,6,7,8-octamethoxyanthracene
CID 174988413
2-chloro-3-methoxy-7-methylsulfanyl-1-benzothiophene
CID 130793101

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethoxy-4-[(2,4,5-trimethoxythiophen-3-yl)disulfanyl]thiophene?
The IUPAC name of 2,3,5-trimethoxy-4-[(2,4,5-trimethoxythiophen-3-yl)disulfanyl]thiophene (CID 139909565) is 2,3,5-trimethoxy-4-[(2,4,5-trimethoxythiophen-3-yl)disulfanyl]thiophene.
What is the SMILES notation for 2,3,5-trimethoxy-4-[(2,4,5-trimethoxythiophen-3-yl)disulfanyl]thiophene?
The canonical SMILES for 2,3,5-trimethoxy-4-[(2,4,5-trimethoxythiophen-3-yl)disulfanyl]thiophene is COc1sc(OC)c(SSc2c(OC)sc(OC)c2OC)c1OC.
What is the InChIKey of 2,3,5-trimethoxy-4-[(2,4,5-trimethoxythiophen-3-yl)disulfanyl]thiophene?
The InChIKey is UEXPDCLFKPRHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O6S4/c1-15-7-9(13(19-5)21-11(7)17-3)23-24-10-8(16-2)12(18-4)22-14(10)20-6/h1-6H3.
What are the key properties of 2,3,5-trimethoxy-4-[(2,4,5-trimethoxythiophen-3-yl)disulfanyl]thiophene?
2,3,5-trimethoxy-4-[(2,4,5-trimethoxythiophen-3-yl)disulfanyl]thiophene has a molecular weight of 410.56 g/mol, XLogP of 4.66, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethoxy-4-[(2,4,5-trimethoxythiophen-3-yl)disulfanyl]thiophene is sourced from PubChem (CID 139909565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).