7-methoxy-1,2-benzothiazole

C8H7NOS — CID 13123247

IUPAC7-methoxy-1,2-benzothiazole
SMILESCOc1cccc2cnsc12
InChIInChI=1S/C8H7NOS/c1-10-7-4-2-3-6-5-9-11-8(6)7/h2-5H,1H3
InChIKeyVTYHEUZKGDJQNR-UHFFFAOYSA-N
MW165.22 g/mol
LogP2.30
Rot. Bonds1

About 7-methoxy-1,2-benzothiazole

7-methoxy-1,2-benzothiazole (PubChem CID 13123247) has the molecular formula C8H7NOS and a molecular weight of 165.22 g/mol. Its IUPAC name is 7-methoxy-1,2-benzothiazole.

Molecular Properties

Compound Name7-methoxy-1,2-benzothiazole
PubChem CID13123247
Molecular FormulaC8H7NOS
Molecular Weight165.22 g/mol
Exact Mass165.02
IUPAC Name7-methoxy-1,2-benzothiazole
SMILESCOc1cccc2cnsc12
InChIInChI=1S/C8H7NOS/c1-10-7-4-2-3-6-5-9-11-8(6)7/h2-5H,1H3
InChIKeyVTYHEUZKGDJQNR-UHFFFAOYSA-N
XLogP2.30
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methoxy-1,2-benzisothiazole
CID 38736
5,6-Dimethoxy-benzo[d]isothiazole
CID 13270220
7-Methoxy-3-methylbenzo[d]isothiazole
CID 13952025
5-(Oxiranylmethoxy)-1,2-benzisothiazole
CID 198579
7-(Oxiranylmethoxy)-1,2-benzisothiazole
CID 198765
3-Methoxy-7-(oxiranylmethoxy)-1,2-benzisothiazole
CID 198772
5-Methoxy-3-methylbenzo[d]isothiazole
CID 12607085
7-Methoxybenzo[d]isothiazol-3-amine
CID 13123248
7-(Difluoromethoxy)benzo[d]isothiazole
CID 19384355
7-Fluoro-4-methoxy-1,2-benzothiazole
CID 57485130
4-Fluoro-1,2-benzothiazol-7-ol
CID 57485138
4-(Difluoromethoxy)benzo[d]isothiazole
CID 76538253

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1,2-benzothiazole?
The IUPAC name of 7-methoxy-1,2-benzothiazole (CID 13123247) is 7-methoxy-1,2-benzothiazole.
What is the SMILES notation for 7-methoxy-1,2-benzothiazole?
The canonical SMILES for 7-methoxy-1,2-benzothiazole is COc1cccc2cnsc12.
What is the InChIKey of 7-methoxy-1,2-benzothiazole?
The InChIKey is VTYHEUZKGDJQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NOS/c1-10-7-4-2-3-6-5-9-11-8(6)7/h2-5H,1H3.
What are the key properties of 7-methoxy-1,2-benzothiazole?
7-methoxy-1,2-benzothiazole has a molecular weight of 165.22 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1,2-benzothiazole is sourced from PubChem (CID 13123247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).