Home Nitriles 5-phenyl-1,3,4-thiadiazole-2-carbonitrile

5-phenyl-1,3,4-thiadiazole-2-carbonitrile

CAS No.:
70391-08-1
Catalog Number:
AG01AV2C
Molecular Formula:
C9H5N3S
Molecular Weight:
187.2211
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Product Description
Catalog Number:
AG01AV2C
Chemical Name:
5-phenyl-1,3,4-thiadiazole-2-carbonitrile
CAS Number:
70391-08-1
Molecular Formula:
C9H5N3S
Molecular Weight:
187.2211
MDL Number:
MFCD27959438
IUPAC Name:
5-phenyl-1,3,4-thiadiazole-2-carbonitrile
InChI:
InChI=1S/C9H5N3S/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h1-5H
InChI Key:
BZAZAADJISYHGV-UHFFFAOYSA-N
SMILES:
N#Cc1nnc(s1)c1ccccc1
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.02g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.22g/mol
Monoisotopic Mass:
187.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties