6-ethylsulfanyl-4-methoxy-2-methyl-1,3-benzodioxole

C11H14O3S — CID 67561160

IUPAC6-ethylsulfanyl-4-methoxy-2-methyl-1,3-benzodioxole
SMILESCCSc1cc(OC)c2c(c1)OC(C)O2
InChIInChI=1S/C11H14O3S/c1-4-15-8-5-9(12-3)11-10(6-8)13-7(2)14-11/h5-7H,4H2,1-3H3
InChIKeyUNSQHVZSLZDCNG-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.92
Rot. Bonds3

About 6-ethylsulfanyl-4-methoxy-2-methyl-1,3-benzodioxole

6-ethylsulfanyl-4-methoxy-2-methyl-1,3-benzodioxole (PubChem CID 67561160) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is 6-ethylsulfanyl-4-methoxy-2-methyl-1,3-benzodioxole.

Molecular Properties

Compound Name6-ethylsulfanyl-4-methoxy-2-methyl-1,3-benzodioxole
PubChem CID67561160
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Name6-ethylsulfanyl-4-methoxy-2-methyl-1,3-benzodioxole
SMILESCCSc1cc(OC)c2c(c1)OC(C)O2
InChIInChI=1S/C11H14O3S/c1-4-15-8-5-9(12-3)11-10(6-8)13-7(2)14-11/h5-7H,4H2,1-3H3
InChIKeyUNSQHVZSLZDCNG-UHFFFAOYSA-N
XLogP2.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-4-methoxy-2-methyl-1,3-benzodioxole?
The IUPAC name of 6-ethylsulfanyl-4-methoxy-2-methyl-1,3-benzodioxole (CID 67561160) is 6-ethylsulfanyl-4-methoxy-2-methyl-1,3-benzodioxole.
What is the SMILES notation for 6-ethylsulfanyl-4-methoxy-2-methyl-1,3-benzodioxole?
The canonical SMILES for 6-ethylsulfanyl-4-methoxy-2-methyl-1,3-benzodioxole is CCSc1cc(OC)c2c(c1)OC(C)O2.
What is the InChIKey of 6-ethylsulfanyl-4-methoxy-2-methyl-1,3-benzodioxole?
The InChIKey is UNSQHVZSLZDCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3S/c1-4-15-8-5-9(12-3)11-10(6-8)13-7(2)14-11/h5-7H,4H2,1-3H3.
What are the key properties of 6-ethylsulfanyl-4-methoxy-2-methyl-1,3-benzodioxole?
6-ethylsulfanyl-4-methoxy-2-methyl-1,3-benzodioxole has a molecular weight of 226.30 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-4-methoxy-2-methyl-1,3-benzodioxole is sourced from PubChem (CID 67561160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).