2,3-dihydrothieno[3,4-b][1,4]dioxine;5-(2,6-dimethylthieno[2,3-c]thiophen-4-yl)-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;thieno[2,3-c]thiophene

C27H24O4S6 — CID 161152821

IUPAC2,3-dihydrothieno[3,4-b][1,4]dioxine;5-(2,6-dimethylthieno[2,3-c]thiophen-4-yl)-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;thieno[2,3-c]thiophene
SMILESCc1cc2c(-c3sc(C)c4c3OCCO4)sc(C)c2s1.c1cc2cscc2s1.c1scc2c1OCCO2
InChIInChI=1S/C15H14O2S3.C6H6O2S.C6H4S2/c1-7-6-10-13(18-7)9(3)20-14(10)15-12-11(8(2)19-15)16-4-5-17-12;1-2-8-6-4-9-3-5(6)7-1;1-2-8-6-4-7-3-5(1)6/h6H,4-5H2,1-3H3;3-4H,1-2H2;1-4H
InChIKeyUOXFSEQGEMCRAQ-UHFFFAOYSA-N
MW604.89 g/mol
LogP9.87
Rot. Bonds1

About 2,3-dihydrothieno[3,4-b][1,4]dioxine;5-(2,6-dimethylthieno[2,3-c]thiophen-4-yl)-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;thieno[2,3-c]thiophene

2,3-dihydrothieno[3,4-b][1,4]dioxine;5-(2,6-dimethylthieno[2,3-c]thiophen-4-yl)-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;thieno[2,3-c]thiophene (PubChem CID 161152821) has the molecular formula C27H24O4S6 and a molecular weight of 604.89 g/mol. Its IUPAC name is 2,3-dihydrothieno[3,4-b][1,4]dioxine;5-(2,6-dimethylthieno[2,3-c]thiophen-4-yl)-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;thieno[2,3-c]thiophene.

Molecular Properties

Compound Name2,3-dihydrothieno[3,4-b][1,4]dioxine;5-(2,6-dimethylthieno[2,3-c]thiophen-4-yl)-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;thieno[2,3-c]thiophene
PubChem CID161152821
Molecular FormulaC27H24O4S6
Molecular Weight604.89 g/mol
Exact Mass604.00
IUPAC Name2,3-dihydrothieno[3,4-b][1,4]dioxine;5-(2,6-dimethylthieno[2,3-c]thiophen-4-yl)-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;thieno[2,3-c]thiophene
SMILESCc1cc2c(-c3sc(C)c4c3OCCO4)sc(C)c2s1.c1cc2cscc2s1.c1scc2c1OCCO2
InChIInChI=1S/C15H14O2S3.C6H6O2S.C6H4S2/c1-7-6-10-13(18-7)9(3)20-14(10)15-12-11(8(2)19-15)16-4-5-17-12;1-2-8-6-4-9-3-5(6)7-1;1-2-8-6-4-7-3-5(1)6/h6H,4-5H2,1-3H3;3-4H,1-2H2;1-4H
InChIKeyUOXFSEQGEMCRAQ-UHFFFAOYSA-N
XLogP9.87
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.89
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2,3-dihydrothieno[3,4-b][1,4]dioxine;5-(2,6-dimethylthieno[2,3-c]thiophen-4-yl)-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;thieno[2,3-c]thiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrothieno[3,4-b][1,4]dioxine;5-(2,6-dimethylthieno[2,3-c]thiophen-4-yl)-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;thieno[2,3-c]thiophene?
The IUPAC name of 2,3-dihydrothieno[3,4-b][1,4]dioxine;5-(2,6-dimethylthieno[2,3-c]thiophen-4-yl)-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;thieno[2,3-c]thiophene (CID 161152821) is 2,3-dihydrothieno[3,4-b][1,4]dioxine;5-(2,6-dimethylthieno[2,3-c]thiophen-4-yl)-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;thieno[2,3-c]thiophene.
What is the SMILES notation for 2,3-dihydrothieno[3,4-b][1,4]dioxine;5-(2,6-dimethylthieno[2,3-c]thiophen-4-yl)-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;thieno[2,3-c]thiophene?
The canonical SMILES for 2,3-dihydrothieno[3,4-b][1,4]dioxine;5-(2,6-dimethylthieno[2,3-c]thiophen-4-yl)-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;thieno[2,3-c]thiophene is Cc1cc2c(-c3sc(C)c4c3OCCO4)sc(C)c2s1.c1cc2cscc2s1.c1scc2c1OCCO2.
What is the InChIKey of 2,3-dihydrothieno[3,4-b][1,4]dioxine;5-(2,6-dimethylthieno[2,3-c]thiophen-4-yl)-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;thieno[2,3-c]thiophene?
The InChIKey is UOXFSEQGEMCRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S3.C6H6O2S.C6H4S2/c1-7-6-10-13(18-7)9(3)20-14(10)15-12-11(8(2)19-15)16-4-5-17-12;1-2-8-6-4-9-3-5(6)7-1;1-2-8-6-4-7-3-5(1)6/h6H,4-5H2,1-3H3;3-4H,1-2H2;1-4H.
What are the key properties of 2,3-dihydrothieno[3,4-b][1,4]dioxine;5-(2,6-dimethylthieno[2,3-c]thiophen-4-yl)-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;thieno[2,3-c]thiophene?
2,3-dihydrothieno[3,4-b][1,4]dioxine;5-(2,6-dimethylthieno[2,3-c]thiophen-4-yl)-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;thieno[2,3-c]thiophene has a molecular weight of 604.89 g/mol, XLogP of 9.87, 1 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrothieno[3,4-b][1,4]dioxine;5-(2,6-dimethylthieno[2,3-c]thiophen-4-yl)-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;thieno[2,3-c]thiophene is sourced from PubChem (CID 161152821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).