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15591-42-1 | 3-(-HYDROXYPHENETHYL)-2-IMINO THIAZOLIDINE
CAS No: 15591-42-1 Catalog No: AG007WSU MDL No:
Product Description
Catalog Number:
AG007WSU
Chemical Name:
3-(-HYDROXYPHENETHYL)-2-IMINO THIAZOLIDINE
CAS Number:
15591-42-1
Molecular Formula:
C11H14N2OS
Molecular Weight:
222.3067
IUPAC Name:
1-(2-imino-1,3-thiazolidin-3-yl)-2-phenylethanol
InChI:
InChI=1S/C11H14N2OS/c12-11-13(6-7-15-11)10(14)8-9-4-2-1-3-5-9/h1-5,10,12,14H,6-8H2
InChI Key:
QAYZJRRTPLBFAZ-UHFFFAOYSA-N
SMILES:
OC(N1CCSC1=N)Cc1ccccc1
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.083g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.306g/mol
Monoisotopic Mass:
222.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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