2-chloro-4-(chloromethyl)-1,3-thiazole

2-chloro-4-(chloromethyl)-1,3-thiazole

CAS: 5198-76-5

Formula: C4H3Cl2NS

SMILES: ClCC1=CSC(Cl)=N1

IUPAC: 2-chloro-4-(chloromethyl)-1,3-thiazole

InChI: InChI=1S/C4H3Cl2NS/c5-1-3-2-8-4(6)7-3/h2H,1H2

Composition: C (28.59%), H (1.80%), Cl (42.19%), N (8.34%), S (19.08%)

Molar Mass: 168.04

Atom Count: 11

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	166.9363257
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	HKVYINROOPCUIP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.64
Topological Polar Surface Area	12.89
Polarizability	13.93
Ring Count	1
Rotatable Bond Count	1

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