2-(2-adamantylsulfanyloxysulfanyl)adamantane

C20H30OS2 — CID 19834504

IUPAC2-(2-adamantylsulfanyloxysulfanyl)adamantane
SMILESC1C2CC3CC1CC(C2)C3SOSC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H30OS2/c1-11-3-15-5-12(1)6-16(4-11)19(15)22-21-23-20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2
InChIKeyZBNRUBHKEKSOKR-UHFFFAOYSA-N
MW350.59 g/mol
LogP5.95
Rot. Bonds4

About 2-(2-adamantylsulfanyloxysulfanyl)adamantane

2-(2-adamantylsulfanyloxysulfanyl)adamantane (PubChem CID 19834504) has the molecular formula C20H30OS2 and a molecular weight of 350.59 g/mol. Its IUPAC name is 2-(2-adamantylsulfanyloxysulfanyl)adamantane.

Molecular Properties

Compound Name2-(2-adamantylsulfanyloxysulfanyl)adamantane
PubChem CID19834504
Molecular FormulaC20H30OS2
Molecular Weight350.59 g/mol
Exact Mass350.17
IUPAC Name2-(2-adamantylsulfanyloxysulfanyl)adamantane
SMILESC1C2CC3CC1CC(C2)C3SOSC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H30OS2/c1-11-3-15-5-12(1)6-16(4-11)19(15)22-21-23-20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2
InChIKeyZBNRUBHKEKSOKR-UHFFFAOYSA-N
XLogP5.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-adamantylsulfanyloxysulfanyl)adamantane?
The IUPAC name of 2-(2-adamantylsulfanyloxysulfanyl)adamantane (CID 19834504) is 2-(2-adamantylsulfanyloxysulfanyl)adamantane.
What is the SMILES notation for 2-(2-adamantylsulfanyloxysulfanyl)adamantane?
The canonical SMILES for 2-(2-adamantylsulfanyloxysulfanyl)adamantane is C1C2CC3CC1CC(C2)C3SOSC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(2-adamantylsulfanyloxysulfanyl)adamantane?
The InChIKey is ZBNRUBHKEKSOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30OS2/c1-11-3-15-5-12(1)6-16(4-11)19(15)22-21-23-20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2.
What are the key properties of 2-(2-adamantylsulfanyloxysulfanyl)adamantane?
2-(2-adamantylsulfanyloxysulfanyl)adamantane has a molecular weight of 350.59 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantylsulfanyloxysulfanyl)adamantane is sourced from PubChem (CID 19834504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).