2-(Formylamino)-4-thiazoleacetyl Chloride Hydrochloride - CAS 372092-18-7

Catalog:	BB064613
Product Name:	2-(Formylamino)-4-thiazoleacetyl Chloride Hydrochloride
CAS:	372092-18-7
Synonyms:	2-(Formylamino)-4-thiazoleacetyl Chloride Monohydrochloride

Technical Data

IUPAC Name:	2-(2-formamido-1,3-thiazol-4-yl)acetyl chloridehydrochloride
Description:	2-(Formylamino)-4-thiazoleacetyl Chloride Hydrochloride is an intermediate used in the synthesis of (C243005), which is a Cephalosporin Antibiotic.
Molecular Weight:	204.63 + 36.46
Molecular Formula:	C6H5ClN2O2S·HCl
Canonical SMILES:	C1=C(N=C(S1)NC=O)CC(=O)Cl.Cl
InChI:	InChI=1S/C6H5ClN2O2S.ClH/c7-5(11)1-4-2-12-6(9-4)8-3-10/h2-3H,1H2,(H,8,9,10)1H
InChI Key:	HIKIRGPTOWMURM-UHFFFAOYSA-N
Solubility:	DMSO
Appearance:	White Solid
References:	Murata, H., et al. J. Hepatol., 38, 573 (2003), Osawa, M., et al. Legal Med., 10, 143 (2008), Fliri, A., et al. J. Med. Chem., 52, 8038 (2009),.

Complexity:	190
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.952704
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	239.952704
Rotatable Bond Count:	3
Topological Polar Surface Area:	87.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0