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89566-62-1 | 1,4,7,10,13,16-Hexaoxacyclooctadecane-2-methanethiol
CAS No: 89566-62-1 Catalog No: AG003ZBT MDL No:
Product Description
Catalog Number:
AG003ZBT
Chemical Name:
1,4,7,10,13,16-Hexaoxacyclooctadecane-2-methanethiol
CAS Number:
89566-62-1
Molecular Formula:
C13H26O6S
Molecular Weight:
310.4069
IUPAC Name:
1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanethiol
InChI:
InChI=1S/C13H26O6S/c20-12-13-11-18-8-7-16-4-3-14-1-2-15-5-6-17-9-10-19-13/h13,20H,1-12H2
InChI Key:
UNILPIPHJQVHNI-UHFFFAOYSA-N
SMILES:
SCC1COCCOCCOCCOCCOCCO1
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.145g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.405g/mol
Monoisotopic Mass:
310.145g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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