7H-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-one

C8H5NO3S — CID 3066916

IUPAC7H-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-one
SMILESO=c1[nH]c2cc3c(cc2s1)OCO3
InChIInChI=1S/C8H5NO3S/c10-8-9-4-1-5-6(12-3-11-5)2-7(4)13-8/h1-2H,3H2,(H,9,10)
InChIKeyKSHPCWFBCVSBBV-UHFFFAOYSA-N
MW195.20 g/mol
LogP1.32
Rot. Bonds

About 7H-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-one

7H-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-one (PubChem CID 3066916) has the molecular formula C8H5NO3S and a molecular weight of 195.20 g/mol. Its IUPAC name is 7H-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-one.

Molecular Properties

Compound Name7H-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-one
PubChem CID3066916
Molecular FormulaC8H5NO3S
Molecular Weight195.20 g/mol
Exact Mass195.00
IUPAC Name7H-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-one
SMILESO=c1[nH]c2cc3c(cc2s1)OCO3
InChIInChI=1S/C8H5NO3S/c10-8-9-4-1-5-6(12-3-11-5)2-7(4)13-8/h1-2H,3H2,(H,9,10)
InChIKeyKSHPCWFBCVSBBV-UHFFFAOYSA-N
XLogP1.32
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7H-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-one?
The IUPAC name of 7H-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-one (CID 3066916) is 7H-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-one.
What is the SMILES notation for 7H-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-one?
The canonical SMILES for 7H-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-one is O=c1[nH]c2cc3c(cc2s1)OCO3.
What is the InChIKey of 7H-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-one?
The InChIKey is KSHPCWFBCVSBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO3S/c10-8-9-4-1-5-6(12-3-11-5)2-7(4)13-8/h1-2H,3H2,(H,9,10).
What are the key properties of 7H-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-one?
7H-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-one has a molecular weight of 195.20 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-one is sourced from PubChem (CID 3066916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).