4-(4-Pyridyl)thiazole-2(3H)-thione - CAS 77168-63-9

Name: 4-(4-Pyridyl)thiazole-2(3H)-thione
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB035847
Product Name:	4-(4-Pyridyl)thiazole-2(3H)-thione
CAS:	77168-63-9
Synonyms:	4-pyridin-4-yl-3H-thiazole-2-thione; 4-pyridin-4-yl-3H-1,3-thiazole-2-thione

Technical Data

IUPAC Name:	4-pyridin-4-yl-3H-1,3-thiazole-2-thione
Description:	4-(4-Pyridyl)thiazole-2(3H)-thione (CAS# 77168-63-9) is a reactant used to synthesize novel thiazolidine derivatives and azetidinone derivatives, which possess antiproliferative activity and inhibitory activity against the proliferation of the MCF-7 breast cancer cell line.
Molecular Weight:	194.28
Molecular Formula:	C8H6N2S2
Canonical SMILES:	C1=CN=CC=C1C2=CSC(=S)N2
InChI:	InChI=1S/C8H6N2S2/c11-8-10-7(5-12-8)6-1-3-9-4-2-6/h1-5H,(H,10,11)
InChI Key:	LEQNUYXXLYRUNY-UHFFFAOYSA-N
Boiling Point:	356.135 °C at 760 mmHg
Density:	1.356 g/cm³
LogP:	2.49380

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501
Signal Word:	Warning

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Complexity:	219
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	193.99724055
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	193.99724055
Rotatable Bond Count:	1
Topological Polar Surface Area:	82.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4