N-(4-methylphenyl)benzothiazol-2-amine - CAS 70785-26-1

Catalog:	BB034234
Product Name:	N-(4-methylphenyl)benzothiazol-2-amine
CAS:	70785-26-1
Synonyms:	N-(4-methylphenyl)-1,3-benzothiazol-2-amine; N-(4-methylphenyl)-1,3-benzothiazol-2-amine

Technical Data

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Computed Properties

IUPAC Name:	N-(4-methylphenyl)-1,3-benzothiazol-2-amine
Description:	N-(4-methylphenyl)benzothiazol-2-amine (CAS# 70785-26-1) is a useful research chemical.
Molecular Weight:	240.32
Molecular Formula:	C14H12N2S
Canonical SMILES:	CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2
InChI:	InChI=1S/C14H12N2S/c1-10-6-8-11(9-7-10)15-14-16-12-4-2-3-5-13(12)17-14/h2-9H,1H3,(H,15,16)
InChI Key:	BZPQYMXZWLYUEY-UHFFFAOYSA-N
Boiling Point:	387.1 °C at 760 mmHg
Density:	1.274 g/cm³
MDL:	MFCD01830676
LogP:	4.42130

Publication Number	Title	Priority Date
AU-2011326130-A1	Compositions and methods relating to heat shock transcription factor activating compounds and targets thereof	20101112
AU-2011326130-B2	Compositions and methods relating to heat shock transcription factor activating compounds and targets thereof	20101112
CA-2817541-A1	Compositions and methods relating to heat shock transcription factor activating compounds and targets thereof	20101112
CA-2817541-C	Compositions and methods relating to heat shock transcription factor activating compounds and targets thereof	20101112
EP-2637658-A1	Compositions and methods relating to heat shock transcription factor activating compounds and targets thereof	20101112

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Complexity:	251
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	240.07211956
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	240.07211956
Rotatable Bond Count:	2
Topological Polar Surface Area:	53.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.6