5-chloro-2-methyl-1,3-benzothiazole

5-chloro-2-methyl-1,3-benzothiazole

CAS: 1006-99-1

Formula: C8H6ClNS

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

IUPAC: 5-chloro-2-methyl-1,3-benzothiazole

InChI: InChI=1S/C8H6ClNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3

Composition: C (52.32%), H (3.29%), Cl (19.30%), N (7.63%), S (17.46%)

Molar Mass: 183.65

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	182.9909481
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	XCALAYIRFYALSX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.37
Topological Polar Surface Area	12.89
Polarizability	19.24
Ring Count	2
Rotatable Bond Count	0

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