Benzothiazole, methyl-


Chemical Name: Benzothiazole, methyl-
CAS Number: 120-75-2
Product Number: AG000Q1M(AGN-PC-0JK8K2)
Synonyms:
MDL No:
Molecular Formula: C8H7NS
Molecular Weight: 149.2129

Identification/Properties


Properties
MP:
11-14 °C(lit.)
BP:
238°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.617(lit.)
Computed Properties
Molecular Weight:
149.211g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
149.03g/mol
Monoisotopic Mass:
149.03g/mol
Topological Polar Surface Area:
41.1A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
126
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-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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