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1000018-63-2 | 1,3,5-Triazine-2(1H)-thione, 6-phenyl-
CAS No: 1000018-63-2 Catalog No: AG00008W MDL No:MFCD09702439
Product Description
Catalog Number:
AG00008W
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
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
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