6-Amino-2-cyanobenzothiazole - CAS 7724-12-1

Catalog:	BB035866
Product Name:	6-Amino-2-cyanobenzothiazole
CAS:	7724-12-1
Synonyms:	6-amino-1,3-benzothiazole-2-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	6-amino-1,3-benzothiazole-2-carbonitrile
Description:	6-Amino-2-cyanobenzothiazole (CAS# 7724-12-1) is a useful research chemical.
Molecular Weight:	175.21
Molecular Formula:	C8H5N3S
Canonical SMILES:	C1=CC2=C(C=C1N)SC(=N2)C#N
InChI:	InChI=1S/C8H5N3S/c9-4-8-11-6-2-1-5(10)3-7(6)12-8/h1-3H,10H2
InChI Key:	ZOHSEULTWOYIMS-UHFFFAOYSA-N
Boiling Point:	384.914 °C at 760 mmHg
Purity:	95 %
Density:	1.45 g/cm³
Appearance:	Light yellow crystalline
MDL:	MFCD11040279
LogP:	2.33138

Publication Number	Title	Priority Date
CN-113354712-A	Enzyme-targeted control intramolecular condensation molecular probe and preparation method and application thereof	20210611
CN-113087766-A	18F-labeled targeting activated compound and preparation method and application thereof	20210430
CN-112898293-A	Bioluminescent probe for detecting fibroblast activation protein, and preparation method and application thereof	20210119
CN-112190721-A	For nano positive electron imaging agent68Ga-labeled compound and preparation and application thereof	20201013
CN-112255208-A	Compound for detecting tyrosinase and application thereof	20201009

PMID	Publication Date	Title	Journal
28557433	20170621	Ligand-Mediated and Enzyme-Directed Precise Targeting and Retention for the Enhanced Treatment of Glioblastoma	ACS applied materials & interfaces
27934068	20161122	Increased Gold Nanoparticle Retention in Brain Tumors by in Situ Enzyme-Induced Aggregation	ACS nano
23463944	20130517	A biocompatible in vivo ligation reaction and its application for noninvasive bioluminescent imaging of protease activity in living mice	ACS chemical biology
21124381	20100101	A biocompatible condensation reaction for controlled assembly of nanostructures in living cells	Nature chemistry

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

Complexity:	222
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.02041835
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	175.02041835
Rotatable Bond Count:	0
Topological Polar Surface Area:	90.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7