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17385-78-3 | Ethanone, 2-[(4,5-dihydro-2-thiazolyl)thio]-1-phenyl-
CAS No: 17385-78-3 Catalog No: AG001Z8I MDL No:
Product Description
Catalog Number:
AG001Z8I
Chemical Name:
Ethanone, 2-[(4,5-dihydro-2-thiazolyl)thio]-1-phenyl-
CAS Number:
17385-78-3
Molecular Formula:
C11H11NOS2
Molecular Weight:
237.3411
IUPAC Name:
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-phenylethanone
InChI:
InChI=1S/C11H11NOS2/c13-10(9-4-2-1-3-5-9)8-15-11-12-6-7-14-11/h1-5H,6-8H2
InChI Key:
MMPPSOUDWOOQCE-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CSC1=NCCS1
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.028g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.335g/mol
Monoisotopic Mass:
237.028g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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