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141034-15-3 | 2-Naphthalenol, 1-[(4,5-dihydro-2-thiazolyl)amino]-1,2,3,4-tetrahydro-, (1R,2R)-rel-
CAS No: 141034-15-3 Catalog No: AG001FRP MDL No:
Product Description
Catalog Number:
AG001FRP
Chemical Name:
2-Naphthalenol, 1-[(4,5-dihydro-2-thiazolyl)amino]-1,2,3,4-tetrahydro-, (1R,2R)-rel-
CAS Number:
141034-15-3
Molecular Formula:
C13H16N2OS
Molecular Weight:
248.3439
IUPAC Name:
(1R,2R)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,2,3,4-tetrahydronaphthalen-2-ol
InChI:
InChI=1S/C13H16N2OS/c16-11-6-5-9-3-1-2-4-10(9)12(11)15-13-14-7-8-17-13/h1-4,11-12,16H,5-8H2,(H,14,15)/t11-,12-/m1/s1
InChI Key:
IJYJPVUMGMGDDO-VXGBXAGGSA-N
SMILES:
O[C@@H]1CCc2c([C@H]1NC1=NCCS1)cccc2
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
248.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.344g/mol
Monoisotopic Mass:
248.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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