Benzothiazole


Chemical Name: Benzothiazole
CAS Number: 95-16-9
Product Number: AG0034I1(AGN-PC-03ECFC)
Synonyms:
MDL No:
Molecular Formula: C7H5NS
Molecular Weight: 135.1863

Identification/Properties


Properties
MP:
2 °C
BP:
227°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.642(lit.)
Solubility:
3g/l
Computed Properties
Molecular Weight:
135.184g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
135.014g/mol
Monoisotopic Mass:
135.014g/mol
Topological Polar Surface Area:
41.1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
105
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#:
2810
Hazard Statements:
H301+H311-H319-H332-H402
Precautionary Statements:
P280-P301+P310+P330-P305+P351+P338-P312
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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