2-(Tributylstannyl)benzothiazole - CAS 105445-58-7

Catalog:	BB001648
Product Name:	2-(Tributylstannyl)benzothiazole
CAS:	105445-58-7
Synonyms:	1,3-benzothiazol-2-yl(tributyl)stannane; 1,3-benzothiazol-2-yl(tributyl)stannane

Technical Data

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Computed Properties

IUPAC Name:	1,3-benzothiazol-2-yl(tributyl)stannane
Description:	2-(Tributylstannyl)benzothiazole (CAS# 105445-58-7) is a useful research chemical.
Molecular Weight:	424.23
Molecular Formula:	C19H31NSSn
Canonical SMILES:	CCCC[Sn](CCCC)(CCCC)C1=NC2=CC=CC=C2S1
InChI:	InChI=1S/C7H4NS.3C4H9.Sn/c1-2-4-7-6(3-1)8-5-9-7;31-3-4-2;/h1-4H;31,3-4H2,2H3;
InChI Key:	BIXRSCVOWFUPML-UHFFFAOYSA-N
Boiling Point:	424.1 °C at 760 mmHg
Appearance:	Colorless to yellow liquid
MDL:	MFCD01319094
LogP:	6.35240

Publication Number	Title	Priority Date
AU-2016257338-A1	Heterocyclic compounds and their use in preventing or treating bacterial infections	20150507
AU-2016257338-B2	Heterocyclic compounds and their use in preventing or treating bacterial infections	20150507
EP-3292125-A1	Heterocyclic compounds and their use in preventing or treating bacterial infections	20150507
EP-3292125-B1	Heterocyclic compounds and their use in preventing or treating bacterial infections	20150507
JP-2018515504-A	Heterocyclic compounds and their use in the treatment or prevention of bacterial infections	20150507

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P314, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P391, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	288
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	425.119924
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	425.119924
Rotatable Bond Count:	10
Topological Polar Surface Area:	41.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0