1,4-Dithiaspiro(4.4)nonane, 7-methyl-

HCID 28569

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Basic information

CAS: 17480-83-0
Standard SMILES: CC1CCC2(C1)SCCS2
InChIKey: CSTSWMJZGAQCGE-UHFFFAOYSA-N
Molecular formula: C8H14S2
Average molar mass: 174.3 g/mol
Monoisotopic mass: 174.05369279

Names & identifiers

Preferred name: 1,4-Dithiaspiro(4.4)nonane, 7-methyl-
IUPAC: 8-methyl-1,4-dithiaspiro[4.4]nonane

Names & synonyms

7-Methyl-1,4-dithiaspiro(4.4)nonaneBRN 15604621,4-DITHIASPIRO(4.4)NONANE, 7-METHYL-7-methyl-1,4-dithiaspiro[4.4]nonaneDTXSID509385865-19-01-00225 (Beilstein Handbook Reference)RefChem:220849DTXCID10136710917480-83-0

Database identifiers

CAS: 17480-83-0
PubChem CID: 28569
DTXSID: DTXSID50938586
Nikkaji: J87.578C

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 50.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 127

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