2-Amino-4-methoxybenzothiazole - CAS 5464-79-9

Name: 2-Amino-4-methoxybenzothiazole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB028749
Product Name:	2-Amino-4-methoxybenzothiazole
CAS:	5464-79-9
Synonyms:	4-methoxy-1,3-benzothiazol-2-amine

Technical Data

IUPAC Name:	4-methoxy-1,3-benzothiazol-2-amine
Description:	2-Amino-4-methoxybenzothiazole (CAS# 5464-79-9) is a useful research intermediate for the synthesis of various benzothiazole and aminobenzothiazoles derivatives with antibacterial and antifungal activity.
Molecular Weight:	180.23
Molecular Formula:	C8H8N2OS
Canonical SMILES:	COC1=C2C(=CC=C1)SC(=N2)N
InChI:	InChI=1S/C8H8N2OS/c1-11-5-3-2-4-6-7(5)10-8(9)12-6/h2-4H,1H3,(H2,9,10)
InChI Key:	YEBCRAVYUWNFQT-UHFFFAOYSA-N
Boiling Point:	347.5 °C at 760 mmHg
Melting Point:	153-155 °C
Purity:	98 %
Density:	1.359 g/cm³
Solubility:	less than 1 mg/mL at 67.1 °F
Appearance:	Beige chunky solid.
Storage:	Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.
MDL:	MFCD00005792
LogP:	2.46830

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
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
KR-20210076879-A	Novel pyrimidine derivatives and use thereof	20191216
WO-2021125803-A1	Novel pyrimidin derivative and use thereof	20191216
US-2021047313-A1	Antitumor compound for activating jwa gene and degrading her2, preparation method thereof, and application thereof	20190812

PMID	Publication Date	Title	Journal
20541935	20100715	4-Substituted-7-N-alkyl-N-acetyl 2-aminobenzothiazole amides: drug-like and non-xanthine based A2B adenosine receptor antagonists	Bioorganic & medicinal chemistry letters
15962942	20050601	Prediction of genotoxicity of chemical compounds by statistical learning methods	Chemical research in toxicology
11425528	20010709	Biological evaluation of hepatitis C virus helicase inhibitors	Bioorganic & medicinal chemistry letters

Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.03573406
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	180.03573406
Rotatable Bond Count:	1
Topological Polar Surface Area:	76.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2