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100557-26-4 | 3-Thiophenecarbonitrile, 2-amino-4,5-dihydro-4-oxo-
CAS No: 100557-26-4 Catalog No: AG0002BT MDL No:MFCD19214355
Product Description
Catalog Number:
AG0002BT
Chemical Name:
3-Thiophenecarbonitrile, 2-amino-4,5-dihydro-4-oxo-
CAS Number:
100557-26-4
Molecular Formula:
C5H4N2OS
Molecular Weight:
140.1631
MDL Number:
MFCD19214355
IUPAC Name:
2-amino-4-oxothiophene-3-carbonitrile
InChI:
InChI=1S/C5H4N2OS/c6-1-3-4(8)2-9-5(3)7/h2,7H2
InChI Key:
RAQMKCUPJOUMBI-UHFFFAOYSA-N
SMILES:
N#CC1=C(N)SCC1=O
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.004g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.16g/mol
Monoisotopic Mass:
140.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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