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50915-54-3 | 2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetonitrile
CAS No: 50915-54-3 Catalog No: AG019JHT MDL No:MFCD06655035
Product Description
Catalog Number:
AG019JHT
Chemical Name:
2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetonitrile
CAS Number:
50915-54-3
Molecular Formula:
C6H6N2OS
Molecular Weight:
154.1896
MDL Number:
MFCD06655035
IUPAC Name:
2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetonitrile
InChI:
InChI=1S/C6H6N2OS/c1-8-5(9)4-10-6(8)2-3-7/h2H,4H2,1H3
InChI Key:
BPCJPESPKLCZSN-UHFFFAOYSA-N
SMILES:
CN1C(=CC#N)SCC1=O
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.02g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.187g/mol
Monoisotopic Mass:
154.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.1
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