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17899-33-1 | 3-Thiazolidineethanol, 2-imino-α-phenyl-, hydrochloride (1:1)
CAS No: 17899-33-1 Catalog No: AG001OCE MDL No:MFCD00044726
Product Description
Catalog Number:
AG001OCE
Chemical Name:
3-Thiazolidineethanol, 2-imino-α-phenyl-, hydrochloride (1:1)
CAS Number:
17899-33-1
Molecular Formula:
C11H15ClN2OS
Molecular Weight:
258.7676
MDL Number:
MFCD00044726
IUPAC Name:
2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanol;hydrochloride
InChI:
InChI=1S/C11H14N2OS.ClH/c12-11-13(6-7-15-11)8-10(14)9-4-2-1-3-5-9;/h1-5,10,12,14H,6-8H2;1H
InChI Key:
HXCSOQNQZVYAJC-UHFFFAOYSA-N
SMILES:
OC(c1ccccc1)CN1CCSC1=N.Cl
EC Number:
241-843-6
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.059g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
258.764g/mol
Monoisotopic Mass:
258.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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