2-Amino-4,5,6,7-tetrahydrobenzothiazole - CAS 2933-29-1

Catalog:	BB020170
Product Name:	2-Amino-4,5,6,7-tetrahydrobenzothiazole
CAS:	2933-29-1
Synonyms:	4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
Description:	2-Amino-4,5,6,7-tetrahydrobenzothiazole (CAS# 2933-29-1) is a useful research chemical.
Molecular Weight:	154.23
Molecular Formula:	C7H10N2S
Canonical SMILES:	C1CCC2=C(C1)N=C(S2)N
InChI:	InChI=1S/C7H10N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H2,(H2,8,9)
InChI Key:	SMWAOXCEPHEGFV-UHFFFAOYSA-N
Boiling Point:	318.4 °C at 760 mmHg
Density:	1.272 g/cm³
MDL:	MFCD00022851
LogP:	2.18530

Publication Number	Title	Priority Date
CN-111875615-A	Methoxybenzyl urea compound and application thereof	20200715
WO-2021066573-A1	Novel compound and use thereof in treating autoimmune diseases	20191004
WO-2020247336-A1	Pifithrin analogues and methods of treating rett syndrome	20190603
US-10766888-B1	HMOX1 inducers	20190412
WO-2020210339-A1	Hmox1 inducers	20190412

PMID	Publication Date	Title	Journal
22619696	20120101	The bad, the good, and the ugly about oxidative stress	Oxidative medicine and cellular longevity
19267667	20090201	Possible involvement of NO in the stimulating effect of pifithrins on survival of hemopoietic clonogenic cells	Biochemistry. Biokhimiia
15149685	20040621	Novel thrombin inhibitors incorporating weakly basic heterobicyclic P1-arginine mimetics: optimization via modification of P1 and P3 moieties	Bioorganic & medicinal chemistry letters
15051174	20040301	Novel non-covalent thrombin inhibitors incorporating P(1) 4,5,6,7-tetrahydrobenzothiazole arginine side chain mimetics	European journal of medicinal chemistry
12408720	20021107	Novel p53 inactivators with neuroprotective action: syntheses and pharmacological evaluation of 2-imino-2,3,4,5,6,7-hexahydrobenzothiazole and 2-imino-2,3,4,5,6,7-hexahydrobenzoxazole derivatives	Journal of medicinal chemistry

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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:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.05646950
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	154.05646950
Rotatable Bond Count:	0
Topological Polar Surface Area:	67.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5