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1159977-19-1 | Methanesulfonothioic acid, S-[2-[(9-anthracenylcarbonyl)amino]ethyl] ester
CAS No: 1159977-19-1 Catalog No: AG000HEP MDL No:
Product Description
Catalog Number:
AG000HEP
Chemical Name:
Methanesulfonothioic acid, S-[2-[(9-anthracenylcarbonyl)amino]ethyl] ester
CAS Number:
1159977-19-1
Molecular Formula:
C18H17NO3S2
Molecular Weight:
359.4625
IUPAC Name:
N-(2-methylsulfonylsulfanylethyl)anthracene-9-carboxamide
InChI:
InChI=1S/C18H17NO3S2/c1-24(21,22)23-11-10-19-18(20)17-15-8-4-2-6-13(15)12-14-7-3-5-9-16(14)17/h2-9,12H,10-11H2,1H3,(H,19,20)
InChI Key:
PXGKTEYJRHJSDP-UHFFFAOYSA-N
SMILES:
O=C(c1c2ccccc2cc2c1cccc2)NCCSS(=O)(=O)C
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.065g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
359.458g/mol
Monoisotopic Mass:
359.065g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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