1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-chloro-1,2,3-benzothiadiazol-4-amine

2.1.2 InChI

InChI=1S/C6H4ClN3S/c7-3-1-2-4-6(5(3)8)9-10-11-4/h1-2H,8H2

2.1.3 InChI Key

CWKMSZCIOQXCLT-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 115398-34-0

2. 5-chlorobenzo[d][1,2,3]thiadiazol-4-amine

3. 5-chloro-1,2,3-benzothiadiazol-4-amine

4. Schembl9112914

5. Akos006285488

6. Db-041263

7. 5-chloranyl-1,2,3-benzothiadiazol-4-amine

8. A820417

2.3 Create Date

2009-05-29

3 Chemical and Physical Properties

Molecular Formula	C₆H₄ClN₃S
Molecular Weight	185.64 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	80
Heavy Atom Count	11
Formal Charge	0
Complexity	157
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 115398-34-0