2-(disulfanyl)adamantane

C10H16S2 — CID 148597481

IUPAC2-(disulfanyl)adamantane
SMILESSSC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C10H16S2/c11-12-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-11H,1-5H2
InChIKeyNBVVGWQTMFZCOL-UHFFFAOYSA-N
MW200.37 g/mol
LogP3.39
Rot. Bonds1

About 2-(disulfanyl)adamantane

2-(disulfanyl)adamantane (PubChem CID 148597481) has the molecular formula C10H16S2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 2-(disulfanyl)adamantane.

Molecular Properties

Compound Name2-(disulfanyl)adamantane
PubChem CID148597481
Molecular FormulaC10H16S2
Molecular Weight200.37 g/mol
Exact Mass200.07
IUPAC Name2-(disulfanyl)adamantane
SMILESSSC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C10H16S2/c11-12-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-11H,1-5H2
InChIKeyNBVVGWQTMFZCOL-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(disulfanyl)adamantane?
The IUPAC name of 2-(disulfanyl)adamantane (CID 148597481) is 2-(disulfanyl)adamantane.
What is the SMILES notation for 2-(disulfanyl)adamantane?
The canonical SMILES for 2-(disulfanyl)adamantane is SSC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(disulfanyl)adamantane?
The InChIKey is NBVVGWQTMFZCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S2/c11-12-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-11H,1-5H2.
What are the key properties of 2-(disulfanyl)adamantane?
2-(disulfanyl)adamantane has a molecular weight of 200.37 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(disulfanyl)adamantane is sourced from PubChem (CID 148597481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).