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88518-75-6 | Morpholine, 4-[2-cyano-2-(4-phenyl-2(3H)-thiazolylidene)-1-thioxoethyl]-
CAS No: 88518-75-6 Catalog No: AG0048TP MDL No:
Product Description
Catalog Number:
AG0048TP
Chemical Name:
Morpholine, 4-[2-cyano-2-(4-phenyl-2(3H)-thiazolylidene)-1-thioxoethyl]-
CAS Number:
88518-75-6
Molecular Formula:
C16H15N3OS2
Molecular Weight:
329.4398
IUPAC Name:
3-morpholin-4-yl-2-(4-phenyl-3H-1,3-thiazol-2-ylidene)-3-sulfanylidenepropanenitrile
InChI:
InChI=1S/C16H15N3OS2/c17-10-13(16(21)19-6-8-20-9-7-19)15-18-14(11-22-15)12-4-2-1-3-5-12/h1-5,11,18H,6-9H2
InChI Key:
COLVMKXKEYIHAI-UHFFFAOYSA-N
SMILES:
N#CC(=c1scc([nH]1)c1ccccc1)C(=S)N1CCOCC1
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.066g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.436g/mol
Monoisotopic Mass:
329.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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