4,6-dimethoxy-1,3-benzothiazole

C9H9NO2S — CID 54409935

IUPAC4,6-dimethoxy-1,3-benzothiazole
SMILESCOc1cc(OC)c2ncsc2c1
InChIInChI=1S/C9H9NO2S/c1-11-6-3-7(12-2)9-8(4-6)13-5-10-9/h3-5H,1-2H3
InChIKeyVIYUGJLXQIYGQF-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.31
Rot. Bonds2

About 4,6-dimethoxy-1,3-benzothiazole

4,6-dimethoxy-1,3-benzothiazole (PubChem CID 54409935) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 4,6-dimethoxy-1,3-benzothiazole.

Molecular Properties

Compound Name4,6-dimethoxy-1,3-benzothiazole
PubChem CID54409935
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name4,6-dimethoxy-1,3-benzothiazole
SMILESCOc1cc(OC)c2ncsc2c1
InChIInChI=1S/C9H9NO2S/c1-11-6-3-7(12-2)9-8(4-6)13-5-10-9/h3-5H,1-2H3
InChIKeyVIYUGJLXQIYGQF-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 4,6-dimethoxy-1,3-benzothiazole?
The IUPAC name of 4,6-dimethoxy-1,3-benzothiazole (CID 54409935) is 4,6-dimethoxy-1,3-benzothiazole.
What is the SMILES notation for 4,6-dimethoxy-1,3-benzothiazole?
The canonical SMILES for 4,6-dimethoxy-1,3-benzothiazole is COc1cc(OC)c2ncsc2c1.
What is the InChIKey of 4,6-dimethoxy-1,3-benzothiazole?
The InChIKey is VIYUGJLXQIYGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c1-11-6-3-7(12-2)9-8(4-6)13-5-10-9/h3-5H,1-2H3.
What are the key properties of 4,6-dimethoxy-1,3-benzothiazole?
4,6-dimethoxy-1,3-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 4,6-dimethoxy-1,3-benzothiazole is sourced from PubChem (CID 54409935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).