1,4-Dithiaspiro(4.5)decane, 8-methyl-

HCID 38769

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 41158-95-6
Standard SMILES: CC1CCC2(CC1)SCCS2
InChIKey: OSXWUPLUFSLNLQ-UHFFFAOYSA-N
Molecular formula: C9H16S2
Average molar mass: 188.4 g/mol
Monoisotopic mass: 188.06934286

Names & identifiers

Preferred name: 1,4-Dithiaspiro(4.5)decane, 8-methyl-
IUPAC: 8-methyl-1,4-dithiaspiro[4.5]decane

Names & synonyms

1,4-DITHIASPIRO(4.5)DECANE, 8-METHYL-41158-95-6DTXSID50194089RefChem:1053325DTXCID101165808-methyl-1,4-dithiaspiro[4.5]decane8-Methyl-1,4-dithiaspiro(4.5)decaneBRN 0106095SCHEMBL14197969OSXWUPLUFSLNLQ-UHFFFAOYSA-InChI=1/C9H16S2/c1-8-2-4-9(5-3-8)10-6-7-11-9/h8H,2-7H2,1H3

Database identifiers

CAS: 41158-95-6
PubChem CID: 38769
DTXSID: DTXSID50194089
Nikkaji: J87.576G

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 50.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 128

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…