2-(Chloromethyl)-5-phenyl-1,3-thiazole

Name: 2-(Chloromethyl)-5-phenyl-1,3-thiazole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB069256
Product Name:	2-(Chloromethyl)-5-phenyl-1,3-thiazole
Synonyms:	2-(chloromethyl)-5-phenyl-1,3-thiazole; 2-(Chloromethyl)-5-phenylthiazole

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2-(chloromethyl)-5-phenyl-1,3-thiazole
Description:	2-(Chloromethyl)-5-phenyl-1,3-thiazole is a useful research chemical compound used in the preparation of novel imidazole derivatives as LpxC inhibitors.
Molecular Weight:	209.69
Molecular Formula:	C10H8NSCl
Canonical SMILES:	C1=CC=C(C=C1)C2=CN=C(S2)CCl
InChI:	InChI=1S/C10H8ClNS/c11-6-10-12-7-9(13-10)8-4-2-1-3-5-8/h1-5,7H,6H2
InChI Key:	JEJHXSCVDJNWCE-UHFFFAOYSA-N
References:	Takashima, J., et al. PCT Int. Appl. WO 2018216822, 346, (2018).

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	159
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.0065981
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	209.0065981
Rotatable Bond Count:	2
Topological Polar Surface Area:	41.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3