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 |
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 |
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 |
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 |
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: | 84.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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