7-methyl-5-(5-methyl-2,3-dihydrothieno[3,4-b][1,4]oxathiin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

C14H14O3S3 — CID 118532383

IUPAC7-methyl-5-(5-methyl-2,3-dihydrothieno[3,4-b][1,4]oxathiin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCc1sc(-c2sc(C)c3c2OCCS3)c2c1OCCO2
InChIInChI=1S/C14H14O3S3/c1-7-9-10(16-4-3-15-9)13(19-7)14-11-12(8(2)20-14)18-6-5-17-11/h3-6H2,1-2H3
InChIKeyHXHDYTBXNYGMPY-UHFFFAOYSA-N
MW326.46 g/mol
LogP4.35
Rot. Bonds1

About 7-methyl-5-(5-methyl-2,3-dihydrothieno[3,4-b][1,4]oxathiin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

7-methyl-5-(5-methyl-2,3-dihydrothieno[3,4-b][1,4]oxathiin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 118532383) has the molecular formula C14H14O3S3 and a molecular weight of 326.46 g/mol. Its IUPAC name is 7-methyl-5-(5-methyl-2,3-dihydrothieno[3,4-b][1,4]oxathiin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name7-methyl-5-(5-methyl-2,3-dihydrothieno[3,4-b][1,4]oxathiin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID118532383
Molecular FormulaC14H14O3S3
Molecular Weight326.46 g/mol
Exact Mass326.01
IUPAC Name7-methyl-5-(5-methyl-2,3-dihydrothieno[3,4-b][1,4]oxathiin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCc1sc(-c2sc(C)c3c2OCCS3)c2c1OCCO2
InChIInChI=1S/C14H14O3S3/c1-7-9-10(16-4-3-15-9)13(19-7)14-11-12(8(2)20-14)18-6-5-17-11/h3-6H2,1-2H3
InChIKeyHXHDYTBXNYGMPY-UHFFFAOYSA-N
XLogP4.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-methyl-5-(5-methyl-2,3-dihydrothieno[3,4-b][1,4]oxathiin-7-yl)-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-[5-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dithiin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 101382608

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-(5-methyl-2,3-dihydrothieno[3,4-b][1,4]oxathiin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 7-methyl-5-(5-methyl-2,3-dihydrothieno[3,4-b][1,4]oxathiin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 118532383) is 7-methyl-5-(5-methyl-2,3-dihydrothieno[3,4-b][1,4]oxathiin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 7-methyl-5-(5-methyl-2,3-dihydrothieno[3,4-b][1,4]oxathiin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 7-methyl-5-(5-methyl-2,3-dihydrothieno[3,4-b][1,4]oxathiin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is Cc1sc(-c2sc(C)c3c2OCCS3)c2c1OCCO2.
What is the InChIKey of 7-methyl-5-(5-methyl-2,3-dihydrothieno[3,4-b][1,4]oxathiin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is HXHDYTBXNYGMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S3/c1-7-9-10(16-4-3-15-9)13(19-7)14-11-12(8(2)20-14)18-6-5-17-11/h3-6H2,1-2H3.
What are the key properties of 7-methyl-5-(5-methyl-2,3-dihydrothieno[3,4-b][1,4]oxathiin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
7-methyl-5-(5-methyl-2,3-dihydrothieno[3,4-b][1,4]oxathiin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 326.46 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-(5-methyl-2,3-dihydrothieno[3,4-b][1,4]oxathiin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 118532383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).