2(3H)-Benzoxazolethione, 5-methoxy-


Chemical Name: 2(3H)-Benzoxazolethione, 5-methoxy-
CAS Number: 49559-83-3
Product Number: AG00DIGM(AGN-PC-0KKUO5)
Synonyms:
MDL No:
Molecular Formula: C8H7NO2S
Molecular Weight: 181.2117

Identification/Properties


Properties
MP:
218-223 °C
BP:
288.2°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Stability:
Moisture & Light Sensitive
Computed Properties
Molecular Weight:
181.209g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
181.02g/mol
Monoisotopic Mass:
181.02g/mol
Topological Polar Surface Area:
62.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
198
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:
Danger
UN#:
1759
Hazard Statements:
H302-H315-H318-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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