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141034-17-5 | 2-Thiazolidinimine, 3-acetyl-N-(1,2,3,4-tetrahydro-2-hydroxy-1-naphthalenyl)-, trans- (9CI)
CAS No: 141034-17-5 Catalog No: AG001FRO MDL No:
Product Description
Catalog Number:
AG001FRO
Chemical Name:
2-Thiazolidinimine, 3-acetyl-N-(1,2,3,4-tetrahydro-2-hydroxy-1-naphthalenyl)-, trans- (9CI)
CAS Number:
141034-17-5
Molecular Formula:
C15H18N2O2S
Molecular Weight:
290.3806
IUPAC Name:
1-[2-[[(1R,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]imino]-1,3-thiazolidin-3-yl]ethanone
InChI:
InChI=1S/C15H18N2O2S/c1-10(18)17-8-9-20-15(17)16-14-12-5-3-2-4-11(12)6-7-13(14)19/h2-5,13-14,19H,6-9H2,1H3/t13-,14-/m1/s1
InChI Key:
IXEWLNGDERCRMC-ZIAGYGMSSA-N
SMILES:
O[C@@H]1CCc2c([C@H]1N=C1SCCN1C(=O)C)cccc2
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
290.109g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.381g/mol
Monoisotopic Mass:
290.109g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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