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Home > Other Heterocycles > 138197-00-9
138197-00-9 | 1-Oxa-4,6,9-trithiaspiro[4.4]nonane, 2-ethyl-
CAS No: 138197-00-9 Catalog No: AG00188W MDL No:
Product Description
Catalog Number:
AG00188W
Chemical Name:
1-Oxa-4,6,9-trithiaspiro[4.4]nonane, 2-ethyl-
CAS Number:
138197-00-9
Molecular Formula:
C7H12OS3
Molecular Weight:
208.3646
IUPAC Name:
7-ethyl-6-oxa-1,4,9-trithiaspiro[4.4]nonane
InChI:
InChI=1S/C7H12OS3/c1-2-6-5-11-7(8-6)9-3-4-10-7/h6H,2-5H2,1H3
InChI Key:
GZWQWDFYWKWHEM-UHFFFAOYSA-N
SMILES:
CCC1CSC2(O1)SCCS2
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.005g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.352g/mol
Monoisotopic Mass:
208.005g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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