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Home > Other Heterocycles > 180-97-2
180-97-2 | 1,5,7,11-Tetrathiaspiro[5.5]undecane (8CI,9CI)
CAS No: 180-97-2 Catalog No: AG0021KD MDL No:
Product Description
Catalog Number:
AG0021KD
Chemical Name:
1,5,7,11-Tetrathiaspiro[5.5]undecane (8CI,9CI)
CAS Number:
180-97-2
Molecular Formula:
C7H12S4
Molecular Weight:
224.4302
IUPAC Name:
1,5,7,11-tetrathiaspiro[5.5]undecane
InChI:
InChI=1S/C7H12S4/c1-3-8-7(9-4-1)10-5-2-6-11-7/h1-6H2
InChI Key:
LZGXFMIPVMFXAQ-UHFFFAOYSA-N
SMILES:
C1CSC2(SC1)SCCCS2
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.982g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.413g/mol
Monoisotopic Mass:
223.982g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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