N-(4-Aminophenyl)-1,3-propanesultam - CAS 90556-91-5

Catalog:	BB061410
Product Name:	N-(4-Aminophenyl)-1,3-propanesultam
CAS:	90556-91-5
Synonyms:	2-(4-Aminophenyl)isothiazolidine 1,1-dioxide; N-(4-Aminophenyl)-1,3-propanesultam; 4-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline; 4-(1,1-dioxido-1,2-thiazolidin-2-yl)aniline; 4-(1,1-dioxidoisothiazolidin-2-yl)aniline; 2-(4-Aminophenyl)isothiazolidine1,1-dioxide

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline
Description:	N-(4-Aminophenyl)-1,3-propanesultam
Molecular Weight:	212.27
Molecular Formula:	C9H12N2O2S
Canonical SMILES:	C1CN(S(=O)(=O)C1)C2=CC=C(C=C2)N
InChI:	InChI=1S/C9H12N2O2S/c10-8-2-4-9(5-3-8)11-6-1-7-14(11,12)13/h2-5H,1,6-7,10H2
InChI Key:	BISNTORNTSHTAX-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2021249893-A1	Novel imidazo-pyrazine derivatives	20200608
AU-2016224969-A1	Pyrimidine derivatives as kinase inhibitors and their therapeutical applications	20150227
AU-2016224969-B2	Pyrimidine derivatives as kinase inhibitors and their therapeutical applications	20150227
CA-2977810-A1	Pyrimidine derivatives as kinase inhibitors and their therapeutical applications	20150227
EP-3261638-A1	Pyrimidine derivatives as kinase inhibitors and their therapeutical applications	20150227
EP-3261638-B1	Pyrimidine derivatives as kinase inhibitors and their therapeutical applications	20150227
ES-2746007-T3	Pyrimidine derivatives as kinase inhibitors and their therapeutic applications	20150227
KR-102008082-B1	Pyrimidine Derivatives as Kinase Inhibitors and Therapeutic Uses	20150227
KR-20170122781-A	Pyrimidine Derivatives as Kinase Inhibitors and Therapeutic Uses Thereof	20150227
RU-2718915-C2	Pyrimidine derivatives as kinase inhibitors and therapeutic applications thereof	20150227

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	288
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.0619488
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	212.0619488
Rotatable Bond Count:	1
Topological Polar Surface Area:	71.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5