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16172-23-9 | 2(3H)-Oxazolethione, 5-phenyl-
CAS No: 16172-23-9 Catalog No: AG001VV3 MDL No:MFCD08704427
Product Description
Catalog Number:
AG001VV3
Chemical Name:
2(3H)-Oxazolethione, 5-phenyl-
CAS Number:
16172-23-9
Molecular Formula:
C9H7NOS
Molecular Weight:
177.2230
MDL Number:
MFCD08704427
IUPAC Name:
5-phenyl-3H-1,3-oxazole-2-thione
InChI:
InChI=1S/C9H7NOS/c12-9-10-6-8(11-9)7-4-2-1-3-5-7/h1-6H,(H,10,12)
InChI Key:
OKGRCDVKEPEXFQ-UHFFFAOYSA-N
SMILES:
S=c1[nH]cc(o1)c1ccccc1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.221g/mol
Monoisotopic Mass:
177.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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