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22738-20-1 | 4a',8a'-dimethyloctahydro-1'h-spiro[1,3-dithiolane-2,2'-naphthalen]-1'-ol
CAS No: 22738-20-1 Catalog No: AG006WVY MDL No:
Product Description
Catalog Number:
AG006WVY
Chemical Name:
4a',8a'-dimethyloctahydro-1'h-spiro[1,3-dithiolane-2,2'-naphthalen]-1'-ol
CAS Number:
22738-20-1
Molecular Formula:
C14H24OS2
Molecular Weight:
272.4698
IUPAC Name:
4'a,8'a-dimethylspiro[1,3-dithiolane-2,2'-3,4,5,6,7,8-hexahydro-1H-naphthalene]-1'-ol
InChI:
InChI=1S/C14H24OS2/c1-12-5-3-4-6-13(12,2)11(15)14(8-7-12)16-9-10-17-14/h11,15H,3-10H2,1-2H3
InChI Key:
WZMVIWNURNZXTD-UHFFFAOYSA-N
SMILES:
OC1C2(SCCS2)CCC2(C1(C)CCCC2)C
NSC Number:
127541
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.127g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.465g/mol
Monoisotopic Mass:
272.127g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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