2(3H)-Benzothiazolone


Chemical Name: 2(3H)-Benzothiazolone
CAS Number: 934-34-9
Product Number: AG003HFB(AGN-PC-0JKB9X)
Synonyms:
MDL No:
Molecular Formula: C7H5NOS
Molecular Weight: 151.1857

Identification/Properties


Properties
MP:
137-140 °C(lit.)
BP:
360°C (rough estimate)
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5500 (estimate)
Computed Properties
Molecular Weight:
151.183g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
151.009g/mol
Monoisotopic Mass:
151.009g/mol
Topological Polar Surface Area:
54.4A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
160
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
Precautionary Statements:
P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


PNMR/benzodthiazol-23H-one-934-34-9-hnmr.pdf

Other Analytical Data


POTHER/benzodthiazol-23H-one-934-34-9-hplc.pdf

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