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821781-95-7 | 1-Decanol, 10-[4-[6-(dodecylthio)-2-benzothiazolyl]phenoxy]-
CAS No: 821781-95-7 Catalog No: AG0051AR MDL No:
Product Description
Catalog Number:
AG0051AR
Chemical Name:
1-Decanol, 10-[4-[6-(dodecylthio)-2-benzothiazolyl]phenoxy]-
CAS Number:
821781-95-7
Molecular Formula:
C35H53NO2S2
Molecular Weight:
583.9308
IUPAC Name:
10-[4-(6-dodecylsulfanyl-1,3-benzothiazol-2-yl)phenoxy]decan-1-ol
InChI:
InChI=1S/C35H53NO2S2/c1-2-3-4-5-6-7-10-13-16-19-28-39-32-24-25-33-34(29-32)40-35(36-33)30-20-22-31(23-21-30)38-27-18-15-12-9-8-11-14-17-26-37/h20-25,29,37H,2-19,26-28H2,1H3
InChI Key:
PFIQCCHARTVGFI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCSc1ccc2c(c1)sc(n2)c1ccc(cc1)OCCCCCCCCCCO
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
583.352g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
583.934g/mol
Monoisotopic Mass:
583.352g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13
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