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144000-38-4 | 1-Propanol, 3-(hexylthio)-2-[(triphenylmethyl)amino]-, (S)- (9CI)
CAS No: 144000-38-4 Catalog No: AG001IRT MDL No:
Product Description
Catalog Number:
AG001IRT
Chemical Name:
1-Propanol, 3-(hexylthio)-2-[(triphenylmethyl)amino]-, (S)- (9CI)
CAS Number:
144000-38-4
Molecular Formula:
C28H35NOS
Molecular Weight:
433.6486
IUPAC Name:
3-hexylsulfanyl-2-(tritylamino)propan-1-ol
InChI:
InChI=1S/C28H35NOS/c1-2-3-4-14-21-31-23-27(22-30)29-28(24-15-8-5-9-16-24,25-17-10-6-11-18-25)26-19-12-7-13-20-26/h5-13,15-20,27,29-30H,2-4,14,21-23H2,1H3
InChI Key:
SONWWTHTGIWIKI-UHFFFAOYSA-N
SMILES:
CCCCCCSC[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)CO
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.244g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
433.654g/mol
Monoisotopic Mass:
433.244g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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