7,8,15,16,17-Pentathiadispiro(5.2.5.3)heptadecane

HCID 249366

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Basic information

CAS: 182-12-7
Standard SMILES: C1CCC2(CC1)SSSC1(CCCCC1)SS2
InChIKey: JXSFXRAOCCMUMJ-UHFFFAOYSA-N
Molecular formula: C12H20S5
Average molar mass: 324.6 g/mol
Monoisotopic mass: 324.01685651

Names & identifiers

Preferred name: 7,8,15,16,17-Pentathiadispiro(5.2.5.3)heptadecane
IUPAC: 7,8,15,16,17-pentathiadispiro[5.2.59.36]heptadecane

Names & synonyms

182-12-77,8,15,16,17-Pentathiadispiro(5.2.5.3)heptadecane49L2RW6YD4NSC67640NSC 67640UNII-49L2RW6YD4NSC-676407,8,15,16,17-Pentathiadispiro[5.2.5.3]heptadecaneNCIOpen2_008484DTXSID601712257,8,15,16,17-pentathiadispiro[5.2.5^{9}.3^{6}]heptadecane7,8,15,16,17-Pentathiadispiro[5.2.5^9^.3^6^]heptadecane

Show more names

7,8,15,16,17-Pentathiadispiro[5.2.5~9~.3~6~]heptadecane

Database identifiers

CAS: 182-12-7
PubChem CID: 249366
DTXSID: DTXSID60171225
UNII: 49L2RW6YD4

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 127 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 17
Formal charge: 0
Complexity: 230

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