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74246-64-3 | 1,3-THIAZOLIN-4-ONE-2-ACETONITRILE
CAS No: 74246-64-3 Catalog No: AG00FASM MDL No:MFCD00052566
Product Description
Catalog Number:
AG00FASM
Chemical Name:
1,3-THIAZOLIN-4-ONE-2-ACETONITRILE
CAS Number:
74246-64-3
Molecular Formula:
C5H4N2OS
Molecular Weight:
140.1631
MDL Number:
MFCD00052566
IUPAC Name:
2-(4-oxo-1,3-thiazol-2-yl)acetonitrile
InChI:
InChI=1S/C5H4N2OS/c6-2-1-5-7-4(8)3-9-5/h1,3H2
InChI Key:
LXFWWRBPFWGVJT-UHFFFAOYSA-N
SMILES:
C(C1=NC(=O)CS1)C#N
Properties
Complexity:
212
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:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.16g/mol
Monoisotopic Mass:
140.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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