2-(methylsulfonyl)-4-(tributylstannyl)thiazole - CAS 1245816-14-1

Catalog:	BB005918
Product Name:	2-(methylsulfonyl)-4-(tributylstannyl)thiazole
CAS:	1245816-14-1
Synonyms:	tributyl-(2-methylsulfonyl-1,3-thiazol-4-yl)stannane

Technical Data

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Computed Properties

IUPAC Name:	tributyl-(2-methylsulfonyl-1,3-thiazol-4-yl)stannane
Description:	2-(methylsulfonyl)-4-(tributylstannyl)thiazole (CAS# 1245816-14-1) is used as a reactant in the synthesis of heterocyclic compounds as PI3 kinase inhibitors.
Molecular Weight:	452.26
Molecular Formula:	C16H31NO2S2Sn
Canonical SMILES:	CCCC[Sn](CCCC)(CCCC)C1=CSC(=N1)S(=O)(=O)C
InChI:	InChI=1S/C4H4NO2S2.3C4H9.Sn/c1-9(6,7)4-5-2-3-8-4;31-3-4-2;/h3H,1H3;31,3-4H2,2H3;
InChI Key:	QVPQZKBRXRVABD-UHFFFAOYSA-N
Purity:	94 %
LogP:	5.68350

Publication Number	Title	Priority Date
WO-2021064570-A1	N-substututed-6-oxo-1,6-dihydropyrimidine-2-yl derivatives as inhibitors of the human immunodeficiency virus replication	20191001
WO-2021064571-A1	N-substituted-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl derivatives as inhibitors of the human immunodeficiency virus replication	20191001
AU-2013205238-A1	Heterocyclic compounds and uses thereof	20120410
AU-2013205238-B2	Heterocyclic compounds and uses thereof	20120410
EP-2836487-A1	Heterocyclic compounds and uses thereof	20120410

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Complexity:	387
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	453.081824
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	453.081824
Rotatable Bond Count:	11
Topological Polar Surface Area:	83.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0