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Home > Imidazoles > 89081-48-1
89081-48-1 | Thiazolidine, 2-(1H-imidazol-1-ylmethyl)-2-phenyl-
CAS No: 89081-48-1 Catalog No: AG0040BN MDL No:
Product Description
Catalog Number:
AG0040BN
Chemical Name:
Thiazolidine, 2-(1H-imidazol-1-ylmethyl)-2-phenyl-
CAS Number:
89081-48-1
Molecular Formula:
C13H15N3S
Molecular Weight:
245.3433
IUPAC Name:
2-(imidazol-1-ylmethyl)-2-phenyl-1,3-thiazolidine
InChI:
InChI=1S/C13H15N3S/c1-2-4-12(5-3-1)13(15-7-9-17-13)10-16-8-6-14-11-16/h1-6,8,11,15H,7,9-10H2
InChI Key:
DNDLWMXCMAFXQA-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1(NCCS1)Cn1cncc1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.099g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.344g/mol
Monoisotopic Mass:
245.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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