3-Thiophenecarbonitrile, 2-amino-4,5-dimethyl-


Chemical Name: 3-Thiophenecarbonitrile, 2-amino-4,5-dimethyl-
CAS Number: 4651-94-9
Product Number: AG0038QD(AGN-PC-0JPBAO)
Synonyms:
MDL No:
Molecular Formula: C7H8N2S
Molecular Weight: 152.2168

Identification/Properties


Computed Properties
Molecular Weight:
152.215g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
152.041g/mol
Monoisotopic Mass:
152.041g/mol
Topological Polar Surface Area:
78A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
172
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#:
2923
Hazard Statements:
H301-H302-H311-H318-H331-H412
Precautionary Statements:
P261-P264-P270-P272-P280-P301+P310+P330-P302+P352-P333+P313-P363-P405-P501
Class:
8,6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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