7-chloro-1,2-benzothiazole

C7H4ClNS — CID 10942862

IUPAC7-chloro-1,2-benzothiazole
SMILESClc1cccc2cnsc12
InChIInChI=1S/C7H4ClNS/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H
InChIKeyVSVKOUBCDZYAQY-UHFFFAOYSA-N
MW169.64 g/mol
LogP2.95
Rot. Bonds

About 7-chloro-1,2-benzothiazole

7-chloro-1,2-benzothiazole (PubChem CID 10942862) has the molecular formula C7H4ClNS and a molecular weight of 169.64 g/mol. Its IUPAC name is 7-chloro-1,2-benzothiazole.

Molecular Properties

Compound Name7-chloro-1,2-benzothiazole
PubChem CID10942862
Molecular FormulaC7H4ClNS
Molecular Weight169.64 g/mol
Exact Mass168.98
IUPAC Name7-chloro-1,2-benzothiazole
SMILESClc1cccc2cnsc12
InChIInChI=1S/C7H4ClNS/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H
InChIKeyVSVKOUBCDZYAQY-UHFFFAOYSA-N
XLogP2.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.64
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzisothiazole
CID 9225
3-Chloro-1,2-benzisothiazole
CID 598190
3-Chloro-5-fluoro-1,2-benzothiazole
CID 56993130
4-Chloro-1,2-benzisothiazole
CID 117462
6-Bromo-7-chloro-1,2-benzothiazole
CID 130064317
4,5-Dichloro-1,2-benzisothiazole
CID 9942462
7-Chlorobenzo[d]isothiazol-3-amine
CID 13162407
5-Chlorobenzo[D]isothiazole
CID 19387306
5-Fluorobenzo[d]isothiazole
CID 17842478
7-Fluorobenzo[d]isothiazole
CID 19387303
6-Fluorobenzo[D]isothiazole
CID 21757035
3-Chloro-6-fluoro-1,2-benzothiazole
CID 57020325

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1,2-benzothiazole?
The IUPAC name of 7-chloro-1,2-benzothiazole (CID 10942862) is 7-chloro-1,2-benzothiazole.
What is the SMILES notation for 7-chloro-1,2-benzothiazole?
The canonical SMILES for 7-chloro-1,2-benzothiazole is Clc1cccc2cnsc12.
What is the InChIKey of 7-chloro-1,2-benzothiazole?
The InChIKey is VSVKOUBCDZYAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNS/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H.
What are the key properties of 7-chloro-1,2-benzothiazole?
7-chloro-1,2-benzothiazole has a molecular weight of 169.64 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,2-benzothiazole is sourced from PubChem (CID 10942862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).