1,2-thiazol-3-ylmethanamine - CAS 40064-68-4

Catalog:	BB024276
Product Name:	1,2-thiazol-3-ylmethanamine
CAS:	40064-68-4
Synonyms:	3-isothiazolylmethanamine; 1,2-thiazol-3-ylmethanamine

Technical Data

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Computed Properties

IUPAC Name:	1,2-thiazol-3-ylmethanamine
Description:	1,2-thiazol-3-ylmethanamine (CAS# 40064-68-4) is a useful research chemical.
Molecular Weight:	114.166
Molecular Formula:	C4H6N2S
Canonical SMILES:	C1=CSN=C1CN
InChI:	InChI=1S/C4H6N2S/c5-3-4-1-2-7-6-4/h1-2H,3,5H2
InChI Key:	FJGCCKCEAWBXCV-UHFFFAOYSA-N
Boiling Point:	120 °C
Density:	1.239 g/cm³
LogP:	1.30210

Publication Number	Title	Priority Date
WO-2020223255-A1	3-amino-4h-benzo[e][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of mrgx2	20190429
TW-202106669-A	3-amino-4h-benzo[e][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of mrgx2	20190429
JP-2019529387-A	Lysyl oxidase-like 2 chemical probe and use thereof	20160907
TW-201623295-A	Dihydrothiazide and indoline derivatives having BACE1 inhibitory activity	20140411
WO-2015156421-A1	Dihydrothiazine and dihydrooxazine derivatives having bace1 inhibitory activity	20140411

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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

Complexity:	57.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	114.02516937
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	114.02516937
Rotatable Bond Count:	1
Topological Polar Surface Area:	67.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1