Home Nitriles 4-Thiazolecarbonitrile, 2-formyl-

4-Thiazolecarbonitrile, 2-formyl-

CAS No.:
466686-77-1
Catalog Number:
AG00E6P4
Molecular Formula:
C5H2N2OS
Molecular Weight:
138.1472
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Product Description
Catalog Number:
AG00E6P4
Chemical Name:
4-Thiazolecarbonitrile, 2-formyl-
CAS Number:
466686-77-1
Molecular Formula:
C5H2N2OS
Molecular Weight:
138.1472
MDL Number:
MFCD18821072
IUPAC Name:
2-formyl-1,3-thiazole-4-carbonitrile
InChI:
InChI=1S/C5H2N2OS/c6-1-4-3-9-5(2-8)7-4/h2-3H
InChI Key:
XRSRQCHHXRLPRU-UHFFFAOYSA-N
SMILES:
O=Cc1scc(n1)C#N
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.989g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.144g/mol
Monoisotopic Mass:
137.989g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties