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5-chloro-1,3-benzothiazole

5-chloro-1,3-benzothiazole

CAS: 2786-51-8

Formula: C7H4ClNS

SMILES: ClC1=CC=C2SC=NC2=C1

IUPAC: 5-chloro-1,3-benzothiazole

InChI: InChI=1S/C7H4ClNS/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H

Composition: C (49.57%), H (2.38%), Cl (20.90%), N (8.26%), S (18.90%)

Molar Mass: 169.63

Atom Count: 14

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 168.975298
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey YTSFYTDPSSFCLU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.93
Topological Polar Surface Area 12.89
Polarizability 17.49
Ring Count 2
Rotatable Bond Count 0

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