2-Amino-5,6-dihydrobenzothiazol-7(4H)-one - CAS 17583-10-7

Catalog:	BB013168
Product Name:	2-Amino-5,6-dihydrobenzothiazol-7(4H)-one
CAS:	17583-10-7
Synonyms:	2-amino-5,6-dihydro-4H-1,3-benzothiazol-7-one; 2-amino-5,6-dihydro-4H-1,3-benzothiazol-7-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-amino-5,6-dihydro-4H-1,3-benzothiazol-7-one
Description:	2-Amino-5,6-dihydrobenzothiazol-7(4H)-one (CAS# 17583-10-7) is a useful research chemical.
Molecular Weight:	168.22
Molecular Formula:	C7H8N2OS
Canonical SMILES:	C1CC2=C(C(=O)C1)SC(=N2)N
InChI:	InChI=1S/C7H8N2OS/c8-7-9-4-2-1-3-5(10)6(4)11-7/h1-3H2,(H2,8,9)
InChI Key:	JAZOMJIYYHHUBH-UHFFFAOYSA-N
Boiling Point:	376 °C at 760 mmHg
Density:	1.428 g/cm³
LogP:	1.82550

Publication Number	Title	Priority Date
EP-3484878-A1	Bicyclic heteroaryl substituted compounds	20160714
US-2019292176-A1	Bicyclic heteroaryl substituted compounds	20160714
WO-2018013774-A1	Bicyclic heteroaryl substituted compounds	20160714
EP-3484878-B1	Bicyclic heteroaryl substituted compounds	20160714
US-2021163465-A1	Bicyclic heteroaryl substituted compounds	20160714

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.03573406
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	168.03573406
Rotatable Bond Count:	0
Topological Polar Surface Area:	84.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1