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765277-83-6 | 2-Thiophenedecanol, 5-[2-(5-octyl-2-thienyl)-5-thiazolyl]-
CAS No: 765277-83-6 Catalog No: AG005XOY MDL No:
Product Description
Catalog Number:
AG005XOY
Chemical Name:
2-Thiophenedecanol, 5-[2-(5-octyl-2-thienyl)-5-thiazolyl]-
CAS Number:
765277-83-6
Molecular Formula:
C29H43NOS3
Molecular Weight:
517.8528
IUPAC Name:
10-[5-[2-(5-octylthiophen-2-yl)-1,3-thiazol-5-yl]thiophen-2-yl]decan-1-ol
InChI:
InChI=1S/C29H43NOS3/c1-2-3-4-5-10-13-17-25-19-21-27(33-25)29-30-23-28(34-29)26-20-18-24(32-26)16-14-11-8-6-7-9-12-15-22-31/h18-21,23,31H,2-17,22H2,1H3
InChI Key:
ZTOLPVBOYUNFHG-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1ccc(s1)c1ncc(s1)c1ccc(s1)CCCCCCCCCCO
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
517.251g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
517.849g/mol
Monoisotopic Mass:
517.251g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11
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