7-(3,4-dimethoxy-5-methylthiophen-2-yl)-5-methylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxine

C14H16O4S3 — CID 144596553

IUPAC7-(3,4-dimethoxy-5-methylthiophen-2-yl)-5-methylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCOc1c(C)sc(-c2sc(SC)c3c2OCCO3)c1OC
InChIInChI=1S/C14H16O4S3/c1-7-8(15-2)9(16-3)12(20-7)13-10-11(14(19-4)21-13)18-6-5-17-10/h5-6H2,1-4H3
InChIKeyNMSJASXTQOBSOM-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.30
Rot. Bonds4

About 7-(3,4-dimethoxy-5-methylthiophen-2-yl)-5-methylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxine

7-(3,4-dimethoxy-5-methylthiophen-2-yl)-5-methylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 144596553) has the molecular formula C14H16O4S3 and a molecular weight of 344.48 g/mol. Its IUPAC name is 7-(3,4-dimethoxy-5-methylthiophen-2-yl)-5-methylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name7-(3,4-dimethoxy-5-methylthiophen-2-yl)-5-methylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID144596553
Molecular FormulaC14H16O4S3
Molecular Weight344.48 g/mol
Exact Mass344.02
IUPAC Name7-(3,4-dimethoxy-5-methylthiophen-2-yl)-5-methylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCOc1c(C)sc(-c2sc(SC)c3c2OCCO3)c1OC
InChIInChI=1S/C14H16O4S3/c1-7-8(15-2)9(16-3)12(20-7)13-10-11(14(19-4)21-13)18-6-5-17-10/h5-6H2,1-4H3
InChIKeyNMSJASXTQOBSOM-UHFFFAOYSA-N
XLogP4.30
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-(3,4-dimethoxy-5-methylthiophen-2-yl)-5-methylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxine with MolForge

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Related Compounds

2,2',3,3'-Tetrahydro-5,5'-bithieno[3,4-b][1,4]dioxine
CID 3761770
Thieno[3,4-b]-1,4-dioxin,2,3-dihydro-5-(2-thienyl)-
CID 15488041
7,7'-Dibromo-2,2',3,3'-tetrahydro-5,5'-bithieno[3,4-b][1,4]dioxine
CID 21049574
5-Bromo-7-[(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 59591619
5-Thieno[3,4-b][1,4]dioxin-5-ylthieno[3,4-b][1,4]dioxine
CID 86224794
3-Fluoro-5-(3-fluoro-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 71273597
5-[3,4-Bis(2,2,2-trifluoroethoxy)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 87197724
5-[5-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-bis(2,2,2-trifluoroethoxy)thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 89322252
5-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(2,2,3,3,3-pentafluoropropyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 135144251
5,5''-Bis(n-hexyl)-2,2':5,2''-ter(3,4-ethylenedioxythiophene
CID 11813969
7-[[4,5-Bis(pentylsulfanyl)-1,3-dithiol-2-ylidene]methyl]-5-[7-[[4,5-bis(pentylsulfanyl)-1,3-dithiol-2-ylidene]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 101222005
5-Hexylsulfanyl-7-(5-hexylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 122375705

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxy-5-methylthiophen-2-yl)-5-methylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 7-(3,4-dimethoxy-5-methylthiophen-2-yl)-5-methylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 144596553) is 7-(3,4-dimethoxy-5-methylthiophen-2-yl)-5-methylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 7-(3,4-dimethoxy-5-methylthiophen-2-yl)-5-methylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 7-(3,4-dimethoxy-5-methylthiophen-2-yl)-5-methylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxine is COc1c(C)sc(-c2sc(SC)c3c2OCCO3)c1OC.
What is the InChIKey of 7-(3,4-dimethoxy-5-methylthiophen-2-yl)-5-methylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is NMSJASXTQOBSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4S3/c1-7-8(15-2)9(16-3)12(20-7)13-10-11(14(19-4)21-13)18-6-5-17-10/h5-6H2,1-4H3.
What are the key properties of 7-(3,4-dimethoxy-5-methylthiophen-2-yl)-5-methylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
7-(3,4-dimethoxy-5-methylthiophen-2-yl)-5-methylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 344.48 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxy-5-methylthiophen-2-yl)-5-methylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 144596553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).