2-(2-Thienyl)benzothiazole - CAS 34243-38-4

Catalog:	BB022026
Product Name:	2-(2-Thienyl)benzothiazole
CAS:	34243-38-4
Synonyms:	2-thiophen-2-yl-1,3-benzothiazole; 2-thiophen-2-yl-1,3-benzothiazole

Technical Data

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Computed Properties

IUPAC Name:	2-thiophen-2-yl-1,3-benzothiazole
Description:	2-(2-Thienyl)benzothiazole (CAS# 34243-38-4) is a useful research chemical.
Molecular Weight:	217.31
Molecular Formula:	C11H7NS2
Canonical SMILES:	C1=CC=C2C(=C1)N=C(S2)C3=CC=CS3
InChI:	InChI=1S/C11H7NS2/c1-2-5-9-8(4-1)12-11(14-9)10-6-3-7-13-10/h1-7H
InChI Key:	CNDVGJHQJAJTJK-UHFFFAOYSA-N
Boiling Point:	368.8 °C at 760 mmHg
Density:	1.349 g/cm³
Solubility:	0.7 [ug/mL] (The mean of the results at pH 7.4)
LogP:	4.02480

Publication Number	Title	Priority Date
CN-111662654-A	Long-operation-time two-component acrylate structural adhesive and preparation method thereof	20200723
KR-102178181-B1	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
KR-20200076655-A	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
CN-110698426-A	Method for preparing 1, 3-benzothiazole derivative by efficient catalysis of potassium tert-butoxide	20191104
WO-2021022586-A1	Rubber powder sheet lengthening cattle pad and preparation method therefor	20190802

PMID	Publication Date	Title	Journal
21684753	20110715	Synthesis of novel inhibitors of β-glucuronidase based on benzothiazole skeleton and study of their binding affinity by molecular docking	Bioorganic & medicinal chemistry

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Complexity:	210
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.00199157
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	217.00199157
Rotatable Bond Count:	1
Topological Polar Surface Area:	69.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8