6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole

C9H7NO2S — CID 15445612

IUPAC6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole
SMILESc1nc2cc3c(cc2s1)OCCO3
InChIInChI=1S/C9H7NO2S/c1-2-12-8-4-9-6(10-5-13-9)3-7(8)11-1/h3-5H,1-2H2
InChIKeyLHKKSRONPVLRRK-UHFFFAOYSA-N
MW193.23 g/mol
LogP2.07
Rot. Bonds

About 6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole

6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole (PubChem CID 15445612) has the molecular formula C9H7NO2S and a molecular weight of 193.23 g/mol. Its IUPAC name is 6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole.

Molecular Properties

Compound Name6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole
PubChem CID15445612
Molecular FormulaC9H7NO2S
Molecular Weight193.23 g/mol
Exact Mass193.02
IUPAC Name6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole
SMILESc1nc2cc3c(cc2s1)OCCO3
InChIInChI=1S/C9H7NO2S/c1-2-12-8-4-9-6(10-5-13-9)3-7(8)11-1/h3-5H,1-2H2
InChIKeyLHKKSRONPVLRRK-UHFFFAOYSA-N
XLogP2.07
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole?
The IUPAC name of 6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole (CID 15445612) is 6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole.
What is the SMILES notation for 6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole?
The canonical SMILES for 6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole is c1nc2cc3c(cc2s1)OCCO3.
What is the InChIKey of 6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole?
The InChIKey is LHKKSRONPVLRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S/c1-2-12-8-4-9-6(10-5-13-9)3-7(8)11-1/h3-5H,1-2H2.
What are the key properties of 6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole?
6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole has a molecular weight of 193.23 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole is sourced from PubChem (CID 15445612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).