3-Thiopheneacetonitrile, 2,4,5-trimethyl-


Chemical Name: 3-Thiopheneacetonitrile, 2,4,5-trimethyl-
CAS Number: 112440-49-0
Product Number: AG003EQ8(AGN-PC-000GNC)
Synonyms:
MDL No:
Molecular Formula: C9H11NS
Molecular Weight: 165.2553

Identification/Properties


Properties
MP:
66°C
BP:
130°C 0.7mm Hg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
165.254g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
165.061g/mol
Monoisotopic Mass:
165.061g/mol
Topological Polar Surface Area:
52A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
181
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


Request for Quotation


Customer Feedback