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89011-36-9 | Morpholine, 4-[2-[5-chloro-2-(2-thienylthio)phenyl]-1-thioxoethyl]-
CAS No: 89011-36-9 Catalog No: AG0044MN MDL No:
Product Description
Catalog Number:
AG0044MN
Chemical Name:
Morpholine, 4-[2-[5-chloro-2-(2-thienylthio)phenyl]-1-thioxoethyl]-
CAS Number:
89011-36-9
Molecular Formula:
C16H16ClNOS3
Molecular Weight:
369.9523
IUPAC Name:
2-(5-chloro-2-thiophen-2-ylsulfanylphenyl)-1-morpholin-4-ylethanethione
InChI:
InChI=1S/C16H16ClNOS3/c17-13-3-4-14(22-16-2-1-9-21-16)12(10-13)11-15(20)18-5-7-19-8-6-18/h1-4,9-10H,5-8,11H2
InChI Key:
QPGIRNFDQZNWHS-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)CC(=S)N1CCOCC1)Sc1cccs1
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.008g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.94g/mol
Monoisotopic Mass:
369.008g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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