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100841-18-7 | 1-Butanol, 4-(methylthio)-2-[(triphenylmethyl)amino]-, (S)- (9CI)
CAS No: 100841-18-7 Catalog No: AG0002ZX MDL No:
Product Description
Catalog Number:
AG0002ZX
Chemical Name:
1-Butanol, 4-(methylthio)-2-[(triphenylmethyl)amino]-, (S)- (9CI)
CAS Number:
100841-18-7
Molecular Formula:
C24H27NOS
Molecular Weight:
377.5423
IUPAC Name:
4-methylsulfanyl-2-(tritylamino)butan-1-ol
InChI:
InChI=1S/C24H27NOS/c1-27-18-17-23(19-26)25-24(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,23,25-26H,17-19H2,1H3
InChI Key:
QIBSCRCMFHKSNB-UHFFFAOYSA-N
SMILES:
CSCC[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)CO
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.181g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
377.546g/mol
Monoisotopic Mass:
377.181g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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