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Home > Other Heterocycles > 116414-70-1
116414-70-1 | 1,4,6,9-Tetraoxaspiro[4.4]nonane, 2,7-bis[(phenylthio)methyl]-
CAS No: 116414-70-1 Catalog No: AG000CFV MDL No:
Product Description
Catalog Number:
AG000CFV
Chemical Name:
1,4,6,9-Tetraoxaspiro[4.4]nonane, 2,7-bis[(phenylthio)methyl]-
CAS Number:
116414-70-1
Molecular Formula:
C19H20O4S2
Molecular Weight:
376.4897
IUPAC Name:
3,8-bis(phenylsulfanylmethyl)-1,4,6,9-tetraoxaspiro[4.4]nonane
InChI:
InChI=1S/C19H20O4S2/c1-3-7-17(8-4-1)24-13-15-11-20-19(22-15)21-12-16(23-19)14-25-18-9-5-2-6-10-18/h1-10,15-16H,11-14H2
InChI Key:
AETXBMSKFBPUMV-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)SCC1COC2(O1)OCC(O2)CSc1ccccc1
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.08g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.485g/mol
Monoisotopic Mass:
376.08g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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