2-Benzothiazolecarbonitrile, 6-methoxy-


Chemical Name: 2-Benzothiazolecarbonitrile, 6-methoxy-
CAS Number: 943-03-3
Product Number: AG003B7L(AGN-PC-0JMELF)
Synonyms:
MDL No:
Molecular Formula: C9H6N2OS
Molecular Weight: 190.2217

Identification/Properties


Properties
MP:
129-131 °C(lit.)
BP:
334.9°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.6800 (estimate)
Solubility:
chloroform: soluble5%, clear, colorless to faintly yellow
Computed Properties
Molecular Weight:
190.22g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
190.02g/mol
Monoisotopic Mass:
190.02g/mol
Topological Polar Surface Area:
74.2A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
237
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302+H312+H332-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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