5,6-dimethoxy-1,2-benzothiazole

C9H9NO2S — CID 13270220

IUPAC5,6-dimethoxy-1,2-benzothiazole
SMILESCOc1cc2cnsc2cc1OC
InChIInChI=1S/C9H9NO2S/c1-11-7-3-6-5-10-13-9(6)4-8(7)12-2/h3-5H,1-2H3
InChIKeyPXZKHJUVLOKTFN-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.31
Rot. Bonds2

About 5,6-dimethoxy-1,2-benzothiazole

5,6-dimethoxy-1,2-benzothiazole (PubChem CID 13270220) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 5,6-dimethoxy-1,2-benzothiazole.

Molecular Properties

Compound Name5,6-dimethoxy-1,2-benzothiazole
PubChem CID13270220
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name5,6-dimethoxy-1,2-benzothiazole
SMILESCOc1cc2cnsc2cc1OC
InChIInChI=1S/C9H9NO2S/c1-11-7-3-6-5-10-13-9(6)4-8(7)12-2/h3-5H,1-2H3
InChIKeyPXZKHJUVLOKTFN-UHFFFAOYSA-N
XLogP2.31
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-1,2-benzothiazole?
The IUPAC name of 5,6-dimethoxy-1,2-benzothiazole (CID 13270220) is 5,6-dimethoxy-1,2-benzothiazole.
What is the SMILES notation for 5,6-dimethoxy-1,2-benzothiazole?
The canonical SMILES for 5,6-dimethoxy-1,2-benzothiazole is COc1cc2cnsc2cc1OC.
What is the InChIKey of 5,6-dimethoxy-1,2-benzothiazole?
The InChIKey is PXZKHJUVLOKTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c1-11-7-3-6-5-10-13-9(6)4-8(7)12-2/h3-5H,1-2H3.
What are the key properties of 5,6-dimethoxy-1,2-benzothiazole?
5,6-dimethoxy-1,2-benzothiazole has a molecular weight of 195.24 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-1,2-benzothiazole is sourced from PubChem (CID 13270220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).