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100360-57-4 | 1-Hexanol, 6-[(triphenylmethyl)thio]-
CAS No: 100360-57-4 Catalog No: AG0001Q2 MDL No:
Product Description
Catalog Number:
AG0001Q2
Chemical Name:
1-Hexanol, 6-[(triphenylmethyl)thio]-
CAS Number:
100360-57-4
Molecular Formula:
C25H28OS
Molecular Weight:
376.5542
IUPAC Name:
6-tritylsulfanylhexan-1-ol
InChI:
InChI=1S/C25H28OS/c26-20-12-1-2-13-21-27-25(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-11,14-19,26H,1-2,12-13,20-21H2
InChI Key:
KIVCMHJKLQHCCI-UHFFFAOYSA-N
SMILES:
OCCCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.186g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.558g/mol
Monoisotopic Mass:
376.186g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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