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

C12H12O2S2 — CID 59725280

IUPAC7-methyl-5-(5-methylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCc1ccc(-c2sc(C)c3c2OCCO3)s1
InChIInChI=1S/C12H12O2S2/c1-7-3-4-9(15-7)12-11-10(8(2)16-12)13-5-6-14-11/h3-4H,5-6H2,1-2H3
InChIKeyPOYCRLRSPAXPAH-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.86
Rot. Bonds1

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

7-methyl-5-(5-methylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 59725280) has the molecular formula C12H12O2S2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 7-methyl-5-(5-methylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name7-methyl-5-(5-methylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID59725280
Molecular FormulaC12H12O2S2
Molecular Weight252.36 g/mol
Exact Mass252.03
IUPAC Name7-methyl-5-(5-methylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCc1ccc(-c2sc(C)c3c2OCCO3)s1
InChIInChI=1S/C12H12O2S2/c1-7-3-4-9(15-7)12-11-10(8(2)16-12)13-5-6-14-11/h3-4H,5-6H2,1-2H3
InChIKeyPOYCRLRSPAXPAH-UHFFFAOYSA-N
XLogP3.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-(5-methylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 7-methyl-5-(5-methylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 59725280) is 7-methyl-5-(5-methylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 7-methyl-5-(5-methylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 7-methyl-5-(5-methylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is Cc1ccc(-c2sc(C)c3c2OCCO3)s1.
What is the InChIKey of 7-methyl-5-(5-methylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is POYCRLRSPAXPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2S2/c1-7-3-4-9(15-7)12-11-10(8(2)16-12)13-5-6-14-11/h3-4H,5-6H2,1-2H3.
What are the key properties of 7-methyl-5-(5-methylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
7-methyl-5-(5-methylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 252.36 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-(5-methylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 59725280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).