Name: Name:4-Amino-5,7-dichloro-2,1,3-benzothiadiazole
Brand: Angene
SKU: AG00AU92
Rating: 90 (10 reviews)

4-Amino-5,7-dichloro-2,1,3-benzothiadiazole

CAS No.:

16407-86-6

Catalog Number:

AG00AU92

Molecular Formula:

C6H3Cl2N3S

Molecular Weight:

220.0791

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Purity

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Product Description

Catalog Number:

AG00AU92

Chemical Name:

4-Amino-5,7-dichloro-2,1,3-benzothiadiazole

CAS Number:

16407-86-6

Molecular Formula:

C6H3Cl2N3S

Molecular Weight:

220.0791

MDL Number:

MFCD01118747

IUPAC Name:

5,7-dichloro-2,1,3-benzothiadiazol-4-amine

InChI:

InChI=1S/C6H3Cl2N3S/c7-2-1-3(8)5-6(4(2)9)11-12-10-5/h1H,9H2

InChI Key:

BHDCZIZWPKHDHA-UHFFFAOYSA-N

SMILES:

Clc1cc(Cl)c2c(c1N)nsn2

NSC Number:

202719

Properties

Complexity:

182

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

218.942g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

220.071g/mol

Monoisotopic Mass:

218.942g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties