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887352-65-0 | Benzophenone-4-carboxamidoethyl Methanethiosulfonate
CAS No: 887352-65-0 Catalog No: AG0045IH MDL No:
Product Description
Catalog Number:
AG0045IH
Chemical Name:
Benzophenone-4-carboxamidoethyl Methanethiosulfonate
CAS Number:
887352-65-0
Molecular Formula:
C17H17NO4S2
Molecular Weight:
363.4512
IUPAC Name:
4-benzoyl-N-(2-methylsulfonylsulfanylethyl)benzamide
InChI:
InChI=1S/C17H17NO4S2/c1-24(21,22)23-12-11-18-17(20)15-9-7-14(8-10-15)16(19)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,20)
InChI Key:
YIUXLJAIGUUOOX-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(=O)c1ccccc1)NCCSS(=O)(=O)C
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.06g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
363.446g/mol
Monoisotopic Mass:
363.06g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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