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

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

CAS: 3622-31-9

Formula: C8H6ClNS

SMILES: CC1=CC=C2SC(Cl)=NC2=C1

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

InChI: InChI=1S/C8H6ClNS/c1-5-2-3-7-6(4-5)10-8(9)11-7/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	LMODYJDUSCQYRS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.2
Topological Polar Surface Area	12.89
Polarizability	19.37
Ring Count	2
Rotatable Bond Count	0

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	3622-31-9		$54.22-$196.72$54.22$79.44$196.72