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1000018-63-2,MFCD09702439
Catalog No.:AA000064
1,3,5-Triazine-2(1H)-thione, 6-phenyl- | 1000018-63-2
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1g
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Technical Information
Catalog Number:
AA000064
Chemical Name:
1,3,5-Triazine-2(1H)-thione, 6-phenyl-
CAS Number:
1000018-63-2
Molecular Formula:
C9H7N3S
Molecular Weight:
189.2370
MDL Number:
MFCD09702439
IUPAC Name:
6-phenyl-1H-1,3,5-triazine-2-thione
InChI:
InChI=1S/C9H7N3S/c13-9-11-6-10-8(12-9)7-4-2-1-3-5-7/h1-6H,(H,10,11,12,13)
InChI Key:
HZDDITRJLSQBSK-UHFFFAOYSA-N
SMILES:
S=c1ncnc([nH]1)c1ccccc1
Properties
Computed Properties
 
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.036g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
189.236g/mol
Monoisotopic Mass:
189.036g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
4-Phenyl-1,3,5-triazine-2-thiol 
1000018-63-2 
7045AC 
FCH921767 
MFCD09702439 
OR7661 
SBB056176 
ZINC16124896 
AKOS006345499 
2-Mercapto-4-phenyl-1,3,5-triazine 
AS-5391 
TR-072156 
4-Phenyl-[1,3,5]triazine-2-thiol 
C9H7N3S 
4-Phenyl[1,3,5]triazine-2-thiol 
SCHEMBL10380137 
SCHEMBL19053839 
CTK8A8517 
CTK8F6254 
KS-00003H0J 
ZX-AT003432 
Literature
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