2-Amino-6-oxo-4,5,6,7-tetrahydrobenzothiazole - CAS 113030-24-3

Catalog:	BB061456
Product Name:	2-Amino-6-oxo-4,5,6,7-tetrahydrobenzothiazole
CAS:	113030-24-3
Synonyms:	2-AMINO-4,5-DIHYDROBENZO[D]THIAZOL-6(7H)-ONE; 2-amino-6-oxo-4,5,6,7-tetrahydrobenzothiazole; 2-AMINO-5,7-DIHYDRO-4H-1,3-BENZOTHIAZOL-6-ONE; 2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-one; 2-Amino-4,7-dihydro-1,3-benzothiazol-6(5H)-one; 2-amino-4,7-dihydrobenzo[d]thiazol-6(5H)-one

Technical Data

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Computed Properties

IUPAC Name:	2-amino-5,7-dihydro-4H-1,3-benzothiazol-6-one
Molecular Weight:	168.22
Molecular Formula:	C7H8N2OS
Canonical SMILES:	C1CC2=C(CC1=O)SC(=N2)N
InChI:	InChI=1S/C7H8N2OS/c8-7-9-5-2-1-4(10)3-6(5)11-7/h1-3H2,(H2,8,9)
InChI Key:	WIYDBHSVURZSJV-UHFFFAOYSA-N

Publication Number	Title	Priority Date
CN-108084115-A	The preparation method of body of Pramipexole dihydrochloride and its intermediate	20171228
US-10370648-B2	Engineered imine reductases and methods for the reductive amination of ketone and amine compounds	20141125
US-2017355966-A1	Engineered imine reductases and methods for the reductive amination of ketone and amine compounds	20141125
US-2019300865-A1	Engineered imine reductases and methods for the reductive amination of ketone and amine compounds	20141125
WO-2016085916-A1	Engineered imine reductases and methods for the reductive amination of ketone and amine compounds	20141125
US-10793836-B2	Engineered imine reductases and methods for the reductive amination of ketone and amine compounds	20141125
US-2020399616-A1	Engineered imine reductases and methods for the reductive amination of ketone and amine compounds	20141125
EP-3224354-B1	Engineered imine reductases and methods for the reductive amination of ketone and amine compounds	20141125
US-10407668-B2	Engineered imine reductases and methods for the reductive amination of ketone and amine compounds	20131113
US-2015132807-A1	Engineered imine reductases and methods for the reductive amination of ketone and amine compounds	20131113

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GHS Hazard Statement:	H302 (66.67%): 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:	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:	84.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4