N-(4-Chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine - CAS 103039-04-9

Catalog:	BB069324
Product Name:	N-(4-Chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CAS:	103039-04-9
Synonyms:	2-(p-Chlorophenylimino)tetrahydro-2H-1,3-thiazine

Technical Data

IUPAC Name:	N-(4-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
Description:	N-(4-Chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is a useful reagent in many syntheses, including synthesis of analogs of levamisole, thiazoline derivatives and analogs of intravenous anesthetic.
Molecular Weight:	226.72
Molecular Formula:	C10H11ClN2S
Canonical SMILES:	C1CN=C(SC1)NC2=CC=C(C=C2)Cl
InChI:	InChI=1S/C10H11ClN2S/c11-8-2-4-9(5-3-8)13-10-12-6-1-7-14-10/h2-5H,1,6-7H2,(H,12,13)
InChI Key:	QMTVFKPVCGRXJF-UHFFFAOYSA-N
References:	Caujolle, R., et al. Eur. J. Med. Chem., 24, 287 (1989); Mao, J., et al. Yingyong Huaxue, 21, 1265 (2004); He, Handan, et al. Zhongguo Yiyao Gongye Zazhi, 23, 208 (1992).

Complexity:	212
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.0331472
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	226.0331472
Rotatable Bond Count:	2
Topological Polar Surface Area:	49.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7