2-Amino-4-methylbenzothiazole - CAS 1477-42-5

Catalog:	BB010230
Product Name:	2-Amino-4-methylbenzothiazole
CAS:	1477-42-5
Synonyms:	4-methyl-1,3-benzothiazol-2-amine

Technical Data

Safety and Hazards

Patents

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Computed Properties

IUPAC Name:	4-methyl-1,3-benzothiazol-2-amine
Description:	2-Amino-4-methylbenzothiazole (CAS# 1477-42-5) is a useful research chemical.
Molecular Weight:	164.23
Molecular Formula:	C8H8N2S
Canonical SMILES:	CC1=C2C(=CC=C1)SC(=N2)N
InChI:	InChI=1S/C8H8N2S/c1-5-3-2-4-6-7(5)10-8(9)11-6/h2-4H,1H3,(H2,9,10)
InChI Key:	GRIATXVEXOFBGO-UHFFFAOYSA-N
Boiling Point:	322 ℃ at 760 mmHg
Melting Point:	279 to 282 °F
Purity:	98.0%
Density:	1.315 g/cm³
Appearance:	2-amino-4-methylbenzothiazole is a white powder
MDL:	MFCD00005793
LogP:	2.76810

Publication Number	Title	Priority Date
WO-2021125803-A1	Novel pyrimidin derivative and use thereof	20191216
US-2020206225-A1	Pyruvate kinase modulators and use thereof	20170815
US-2021130371-A1	Pyruvate kinase activators for use in treating blood disorders	20170815
EP-3632903-A1	Compound used as autophagy regulator, and preparation method therefor and uses thereof	20170522
US-2020190066-A1	Compound used as autophagy regulator, and preparation method therefor and uses thereof	20170522

PMID	Publication Date	Title	Journal
22226897	20120301	FTIR, FT-Raman, FT-NMR, UV-visible and quantum chemical investigations of 2-amino-4-methylbenzothiazole	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
16853935	20051201	Experimental and theoretical surface enhanced Raman scattering study of 2-amino-4-methylbenzothiazole adsorbed on colloidal silver particles	The journal of physical chemistry. B
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

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Related Functional Groups

Benzoxazole/Benzothiazole

[16263-54-0]
3,6-Dichlorobenzo[d]isoxazole
[20712-11-2]
6-Nitrobenzo[c]isothiazole
[1215553-99-3]
4-(1,3-Benzothiazol-2-yl)-2-methylaniline hydrochloride
[944907-49-7]
6-Bromobenzoxazole-2-methanamine
[19654-14-9]
2-(3-Bromophenyl)benzothiazole
[1268154-07-9]
2-Amino-7-methylbenzoxazole

Oxazole/Thiazole

[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[16188-30-0]
4-Thiazolemethanamine
[117043-86-4]
4-(Aminomethyl)thiazole Hydrochloride
[19749-93-0]
Ethyl 2-(2-chloroacetamido)-4-thiazoleacetate
[24043-97-8]
Ethyl 2-(2-thienyl)thiazole-4-carboxylate
[132089-38-4]
Ethyl 2-(3,5-dichlorophenyl)thiazole-4-carboxylate

GHS Hazard Statement:	H302 (99.01%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.04081944
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	164.04081944
Rotatable Bond Count:	0
Topological Polar Surface Area:	67.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4