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113887-42-6 | Ethanamine, N,N-dimethyl-2-[(9-phenyl-9H-thioxanthen-9-yl)thio]-
CAS No: 113887-42-6 Catalog No: AG0009ZF MDL No:
Product Description
Catalog Number:
AG0009ZF
Chemical Name:
Ethanamine, N,N-dimethyl-2-[(9-phenyl-9H-thioxanthen-9-yl)thio]-
CAS Number:
113887-42-6
Molecular Formula:
C23H23NS2
Molecular Weight:
377.5654
IUPAC Name:
N,N-dimethyl-2-(9-phenylthioxanthen-9-yl)sulfanylethanamine
InChI:
InChI=1S/C23H23NS2/c1-24(2)16-17-25-23(18-10-4-3-5-11-18)19-12-6-8-14-21(19)26-22-15-9-7-13-20(22)23/h3-15H,16-17H2,1-2H3
InChI Key:
RJZZKSCYIYWAGD-UHFFFAOYSA-N
SMILES:
CN(CCSC1(c2ccccc2)c2ccccc2Sc2c1cccc2)C
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.127g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.564g/mol
Monoisotopic Mass:
377.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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