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81020-77-1 | Propanedinitrile, [(5-methyl-2-thienyl)methylene]-
CAS No: 81020-77-1 Catalog No: AG005HIM MDL No:
Product Description
Catalog Number:
AG005HIM
Chemical Name:
Propanedinitrile, [(5-methyl-2-thienyl)methylene]-
CAS Number:
81020-77-1
Molecular Formula:
C9H6N2S
Molecular Weight:
174.2223
IUPAC Name:
2-[(5-methylthiophen-2-yl)methylidene]propanedinitrile
InChI:
InChI=1S/C9H6N2S/c1-7-2-3-9(12-7)4-8(5-10)6-11/h2-4H,1H3
InChI Key:
HUQRFSRAWMSPGM-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ccc(s1)C)C#N
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.221g/mol
Monoisotopic Mass:
174.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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