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123017-16-3 | 1,2-Propanediol, 3-[(triphenylmethyl)thio]-
CAS No: 123017-16-3 Catalog No: AG000JZE MDL No:
Product Description
Catalog Number:
AG000JZE
Chemical Name:
1,2-Propanediol, 3-[(triphenylmethyl)thio]-
CAS Number:
123017-16-3
Molecular Formula:
C22H22O2S
Molecular Weight:
350.4739
IUPAC Name:
3-tritylsulfanylpropane-1,2-diol
InChI:
InChI=1S/C22H22O2S/c23-16-21(24)17-25-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21,23-24H,16-17H2
InChI Key:
NRKXCTOLUMXPMO-UHFFFAOYSA-N
SMILES:
OCC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)O
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.134g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
350.476g/mol
Monoisotopic Mass:
350.134g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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