Benzeneacetonitrile, 4-(methylthio)-


Chemical Name: Benzeneacetonitrile, 4-(methylthio)-
CAS Number: 38746-92-8
Product Number: AG00I7OJ(AGN-PC-0KKNP6)
Synonyms:
MDL No:
Molecular Formula: C9H9NS
Molecular Weight: 163.2395

Identification/Properties


Properties
BP:
375.3°C at 760 mmHg
Form:
Solid
Computed Properties
Molecular Weight:
163.238g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
163.046g/mol
Monoisotopic Mass:
163.046g/mol
Topological Polar Surface Area:
49.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
150
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-H335
Precautionary Statements:
P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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