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210625-01-7 | Thiazolidine, 2-[4-(1,1-dimethylethyl)phenyl]-
CAS No: 210625-01-7 Catalog No: AG002KWV MDL No:MFCD09027137
Product Description
Catalog Number:
AG002KWV
Chemical Name:
Thiazolidine, 2-[4-(1,1-dimethylethyl)phenyl]-
CAS Number:
210625-01-7
Molecular Formula:
C13H19NS
Molecular Weight:
221.3617
MDL Number:
MFCD09027137
IUPAC Name:
2-(4-tert-butylphenyl)-1,3-thiazolidine
InChI:
InChI=1S/C13H19NS/c1-13(2,3)11-6-4-10(5-7-11)12-14-8-9-15-12/h4-7,12,14H,8-9H2,1-3H3
InChI Key:
KPUXQRCFZKFOPM-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)C1NCCS1)(C)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.124g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.362g/mol
Monoisotopic Mass:
221.124g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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