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116171-01-8 | 3-Thiophenecarbonitrile, 5-acetyl-4-amino-2-(methylthio)-
CAS No: 116171-01-8 Catalog No: AG000BSU MDL No:MFCD00084857
Product Description
Catalog Number:
AG000BSU
Chemical Name:
3-Thiophenecarbonitrile, 5-acetyl-4-amino-2-(methylthio)-
CAS Number:
116171-01-8
Molecular Formula:
C8H8N2OS2
Molecular Weight:
212.2919
MDL Number:
MFCD00084857
IUPAC Name:
5-acetyl-4-amino-2-methylsulfanylthiophene-3-carbonitrile
InChI:
InChI=1S/C8H8N2OS2/c1-4(11)7-6(10)5(3-9)8(12-2)13-7/h10H2,1-2H3
InChI Key:
LXFAMKKOJROSOB-UHFFFAOYSA-N
SMILES:
CSc1sc(c(c1C#N)N)C(=O)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.008g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.285g/mol
Monoisotopic Mass:
212.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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