5-Amino-3-methyl-isothiazole hydrochloride - CAS 52547-00-9

Name: 5-Amino-3-methyl-isothiazole hydrochloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB027863
Product Name:	5-Amino-3-methyl-isothiazole hydrochloride
CAS:	52547-00-9
Synonyms:	3-methyl-1,2-thiazol-5-amine;hydrochloride

Technical Data

IUPAC Name:	3-methyl-1,2-thiazol-5-amine;hydrochloride
Description:	5-Amino-3-methyl-isothiazole hydrochloride (CAS# 52547-00-9) is a useful reagent for preparing new geldanamycin derivatives with anti-Hsp properties by mutasynthesis.
Molecular Weight:	150.63
Molecular Formula:	C4H6N2S · HCl
Canonical SMILES:	CC1=NSC(=C1)N.Cl
InChI:	InChI=1S/C4H6N2S.ClH/c1-3-2-4(5)7-6-3;/h2H,5H2,1H3;1H
InChI Key:	ZRTGHKVPFXNDHE-UHFFFAOYSA-N
Boiling Point:	120.7 °C at 760 mmHg
Melting Point:	300 °C (lit.)
Purity:	95 %
Appearance:	White to light yellow crystal powde
MDL:	MFCD00012716
LogP:	2.41690

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-2015158865-A1	Inhibitors of bruton's tyrosine kinase	20131205
US-9382246-B2	Inhibitors of Bruton's tyrosine kinase	20131205
US-2016229865-A1	Compound inhibiting activities of btk and/or jak3 kinases	20130918
US-2015299214-A1	Nitrogen-containing heterocyclic compound	20121130
US-2015376130-A1	N-prop-2-ynyl carboxamide derivatives and their use as trpa1 antagonists	20121001

Complexity:	66.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.0018471
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	150.0018471
Rotatable Bond Count:	0
Topological Polar Surface Area:	67.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0