5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine

C8H10O2S — CID 18716605

IUPAC5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCc1sc(C)c2c1OCCO2
InChIInChI=1S/C8H10O2S/c1-5-7-8(6(2)11-5)10-4-3-9-7/h3-4H2,1-2H3
InChIKeyWSXSIQXFVQCFLZ-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.14
Rot. Bonds

About 5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine

5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 18716605) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is 5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID18716605
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCc1sc(C)c2c1OCCO2
InChIInChI=1S/C8H10O2S/c1-5-7-8(6(2)11-5)10-4-3-9-7/h3-4H2,1-2H3
InChIKeyWSXSIQXFVQCFLZ-UHFFFAOYSA-N
XLogP2.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 134969073
Thieno[3,4-b]-1,4-dioxin, 5-hexyl-2,3-dihydro-
CID 11020600
2-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)acetonitrile
CID 11074018
5-Methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 23553881
(3,4-Dibutoxy-5-methylthiophen-2-yl)-trimethylsilane
CID 59664288
k01Prr15 1a
CID 101549569
5-Ethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 68087843
3,3-Difluoro-6,8-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine
CID 130182524
(3-Fluoro-6,8-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepin-3-yl)phosphane
CID 130182634
5,7-Dimethyl-3-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 145344236
2,5-Dimethyl-3,4-bis(3,3,3-trifluoropropoxy)thiophene
CID 145344251
Tributyl-(7-dodecyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane
CID 135078401

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 18716605) is 5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine is Cc1sc(C)c2c1OCCO2.
What is the InChIKey of 5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is WSXSIQXFVQCFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-5-7-8(6(2)11-5)10-4-3-9-7/h3-4H2,1-2H3.
What are the key properties of 5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 170.23 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 18716605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).