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5-chloro-2-methyl-1,3-benzothiazol-6-amine

5-chloro-2-methyl-1,3-benzothiazol-6-amine

CAS: 101253-50-3

Formula: C8H7ClN2S

SMILES: CC1=NC2=CC(Cl)=C(N)C=C2S1

IUPAC: 5-chloro-2-methyl-1,3-benzothiazol-6-amine

InChI: InChI=1S/C8H7ClN2S/c1-4-11-7-2-5(9)6(10)3-8(7)12-4/h2-3H,10H2,1H3

Composition: C (48.37%), H (3.55%), Cl (17.84%), N (14.10%), S (16.14%)

Molar Mass: 198.67

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 198.0018471
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey MOWJTBJTHSFSBO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.07
Topological Polar Surface Area 38.91
Polarizability 20.38
Ring Count 2
Rotatable Bond Count 0

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