3-Thiopheneacetonitrile


Chemical Name: 3-Thiopheneacetonitrile
CAS Number: 13781-53-8
Product Number: AG0013VN(AGN-PC-0JLUQC)
Synonyms:
MDL No:
Molecular Formula: C6H5NS
Molecular Weight: 123.1756

Identification/Properties


Properties
BP:
124-125°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.545(lit.)
Computed Properties
Molecular Weight:
123.173g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
123.014g/mol
Monoisotopic Mass:
123.014g/mol
Topological Polar Surface Area:
52A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
113
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


NMR Spectrum


Other Analytical Data


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