3-benzyl-4-methyl-1,3-thiazol-3-ium chloride

3-benzyl-4-methyl-1,3-thiazol-3-ium chloride

CAS: 4209-18-1

Formula: C11H12ClNS

SMILES: [Cl-].CC1=CSC=[N+]1CC1=CC=CC=C1

IUPAC: 3-benzyl-4-methyl-1,3-thiazol-3-ium chloride

InChI: InChI=1S/C11H12NS.ClH/c1-10-8-13-9-12(10)7-11-5-3-2-4-6-11;/h2-6,8-9H,7H2,1H3;1H/q+1;/p-1

Composition: C (58.53%), H (5.36%), Cl (15.70%), N (6.21%), S (14.20%)

Molar Mass: 225.73

Atom Count: 26

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	225.0378983
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	ZGBNEPNQIDHABT-UHFFFAOYSA-M
Lipinski's Rule of Five	1
Molar Refractivity	55.63
Topological Polar Surface Area	3.88
Polarizability	21.45
Ring Count	2
Rotatable Bond Count	2

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