Benzothiazole, 2,5-dimethyl-


Chemical Name: Benzothiazole, 2,5-dimethyl-
CAS Number: 95-26-1
Product Number: AG003FZR(AGN-PC-0JK7ZL)
Synonyms:
MDL No:
Molecular Formula: C9H9NS
Molecular Weight: 163.2395

Identification/Properties


Properties
MP:
36-40 °C(lit.)
BP:
146 °C / 10mmHg
Storage:
Room Temperature;
Form:
Solid
Refractive Index:
1.5300 (estimate)
Computed Properties
Molecular Weight:
163.238g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
163.046g/mol
Monoisotopic Mass:
163.046g/mol
Topological Polar Surface Area:
41.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
149
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#:
-
Hazard Statements:
H302-H315-H319
Precautionary Statements:
P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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