2,3-dihydrothieno[3,4-b][1,4]dioxine;methyl acetate

C9H12O4S — CID 175355386

IUPAC2,3-dihydrothieno[3,4-b][1,4]dioxine;methyl acetate
SMILESCOC(C)=O.c1scc2c1OCCO2
InChIInChI=1S/C6H6O2S.C3H6O2/c1-2-8-6-4-9-3-5(6)7-1;1-3(4)5-2/h3-4H,1-2H2;1-2H3
InChIKeyXNTNFJNRTCKPSH-UHFFFAOYSA-N
MW216.26 g/mol
LogP1.70
Rot. Bonds

About 2,3-dihydrothieno[3,4-b][1,4]dioxine;methyl acetate

2,3-dihydrothieno[3,4-b][1,4]dioxine;methyl acetate (PubChem CID 175355386) has the molecular formula C9H12O4S and a molecular weight of 216.26 g/mol. Its IUPAC name is 2,3-dihydrothieno[3,4-b][1,4]dioxine;methyl acetate.

Molecular Properties

Compound Name2,3-dihydrothieno[3,4-b][1,4]dioxine;methyl acetate
PubChem CID175355386
Molecular FormulaC9H12O4S
Molecular Weight216.26 g/mol
Exact Mass216.05
IUPAC Name2,3-dihydrothieno[3,4-b][1,4]dioxine;methyl acetate
SMILESCOC(C)=O.c1scc2c1OCCO2
InChIInChI=1S/C6H6O2S.C3H6O2/c1-2-8-6-4-9-3-5(6)7-1;1-3(4)5-2/h3-4H,1-2H2;1-2H3
InChIKeyXNTNFJNRTCKPSH-UHFFFAOYSA-N
XLogP1.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydrothieno[3,4-b][1,4]dioxine;methyl 2,3-dimethylbut-2-enoate
CID 70946008
2,3-dihydrothieno[3,4-b][1,4]dioxine;(1-methylcyclohexa-2,4-dien-1-yl)carbamic acid
CID 69368419
dimethyl thiophene-3,4-dicarboxylate
CID 58401193
acetic acid;2,3-dihydro-1,4-benzodioxin-6-ol
CID 71404632
1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
CID 84675883
bismuthane;methyl acetate
CID 174537209
N'-(2-methoxyacetyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 47129790
methyl 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydroxypropanoate
CID 171865410
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopropanamide
CID 82127722
methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluoroacetate
CID 105426445
N-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)acetamide
CID 771593
methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylamino)butanoate
CID 65235920

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrothieno[3,4-b][1,4]dioxine;methyl acetate?
The IUPAC name of 2,3-dihydrothieno[3,4-b][1,4]dioxine;methyl acetate (CID 175355386) is 2,3-dihydrothieno[3,4-b][1,4]dioxine;methyl acetate.
What is the SMILES notation for 2,3-dihydrothieno[3,4-b][1,4]dioxine;methyl acetate?
The canonical SMILES for 2,3-dihydrothieno[3,4-b][1,4]dioxine;methyl acetate is COC(C)=O.c1scc2c1OCCO2.
What is the InChIKey of 2,3-dihydrothieno[3,4-b][1,4]dioxine;methyl acetate?
The InChIKey is XNTNFJNRTCKPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2S.C3H6O2/c1-2-8-6-4-9-3-5(6)7-1;1-3(4)5-2/h3-4H,1-2H2;1-2H3.
What are the key properties of 2,3-dihydrothieno[3,4-b][1,4]dioxine;methyl acetate?
2,3-dihydrothieno[3,4-b][1,4]dioxine;methyl acetate has a molecular weight of 216.26 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrothieno[3,4-b][1,4]dioxine;methyl acetate is sourced from PubChem (CID 175355386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).