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Home > Other Heterocycles > 185-78-4
185-78-4 | 1-Thiaspiro[2.5]octane
CAS No: 185-78-4 Catalog No: AG0076ND MDL No:
Product Description
Catalog Number:
AG0076ND
Chemical Name:
1-Thiaspiro[2.5]octane
CAS Number:
185-78-4
Molecular Formula:
C7H12S
Molecular Weight:
128.2352
IUPAC Name:
1-thiaspiro[2.5]octane
InChI:
InChI=1S/C7H12S/c1-2-4-7(5-3-1)6-8-7/h1-6H2
InChI Key:
FGDWTXGHCTZSMQ-UHFFFAOYSA-N
SMILES:
C1CCC2(CC1)CS2
Properties
Complexity:
92.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.066g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.233g/mol
Monoisotopic Mass:
128.066g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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