5-iodo-1,3-benzothiazole

5-iodo-1,3-benzothiazole

CAS: 89641-05-4

Formula: C7H4INS

SMILES: IC1=CC=C2SC=NC2=C1

IUPAC: 5-iodo-1,3-benzothiazole

InChI: InChI=1S/C7H4INS/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H

Composition: C (32.20%), H (1.54%), I (48.61%), N (5.37%), S (12.28%)

Molar Mass: 261.08

Atom Count: 14

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	260.91092
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	GLKZKYSZPVHLDK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.49
Topological Polar Surface Area	12.89
Polarizability	20.73
Ring Count	2
Rotatable Bond Count	0

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