Home Aldehydes 1,3,4-Thiadiazole-2-carboxaldehyde, 5-phenyl-

1,3,4-Thiadiazole-2-carboxaldehyde, 5-phenyl-

CAS No.:
99066-69-0
Catalog Number:
AG005T8D
Molecular Formula:
C9H6N2OS
Molecular Weight:
190.2217
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Product Description
Catalog Number:
AG005T8D
Chemical Name:
1,3,4-Thiadiazole-2-carboxaldehyde, 5-phenyl-
CAS Number:
99066-69-0
Molecular Formula:
C9H6N2OS
Molecular Weight:
190.2217
MDL Number:
MFCD18250345
IUPAC Name:
5-phenyl-1,3,4-thiadiazole-2-carbaldehyde
InChI:
InChI=1S/C9H6N2OS/c12-6-8-10-11-9(13-8)7-4-2-1-3-5-7/h1-6H
InChI Key:
SKGLVVWEUSDARD-UHFFFAOYSA-N
SMILES:
O=Cc1nnc(s1)c1ccccc1
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.02g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.22g/mol
Monoisotopic Mass:
190.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties