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Home > Other Heterocycles > 13145-46-5
13145-46-5 | 1,4,6,9-Tetrathiaspiro[4.4]nonane (9CI)
CAS No: 13145-46-5 Catalog No: AG000W88 MDL No:
Product Description
Catalog Number:
AG000W88
Chemical Name:
1,4,6,9-Tetrathiaspiro[4.4]nonane (9CI)
CAS Number:
13145-46-5
Molecular Formula:
C5H8S4
Molecular Weight:
196.3770
IUPAC Name:
1,4,6,9-tetrathiaspiro[4.4]nonane
InChI:
InChI=1S/C5H8S4/c1-2-7-5(6-1)8-3-4-9-5/h1-4H2
InChI Key:
OIXFQRVSKVVDFW-UHFFFAOYSA-N
SMILES:
C1CSC2(S1)SCCS2
Properties
Complexity:
84
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.951g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.359g/mol
Monoisotopic Mass:
195.951g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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