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5-bromo-4-methyl-1,3-benzothiazol-2-amine

5-bromo-4-methyl-1,3-benzothiazol-2-amine

CAS: 103873-80-9

Formula: C8H7BrN2S

SMILES: CC1=C2N=C(N)SC2=CC=C1Br

IUPAC: 5-bromo-4-methyl-1,3-benzothiazol-2-amine

InChI: InChI=1S/C8H7BrN2S/c1-4-5(9)2-3-6-7(4)11-8(10)12-6/h2-3H,1H3,(H2,10,11)

Composition: C (39.52%), H (2.90%), Br (32.87%), N (11.52%), S (13.19%)

Molar Mass: 243.12

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 241.951332
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey IVXQBGMLYMGHFZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.97
Topological Polar Surface Area 38.91
Polarizability 21.29
Ring Count 2
Rotatable Bond Count 0

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