2-(2-adamantyldisulfanyl)adamantane

C20H30S2 — CID 13117838

IUPAC2-(2-adamantyldisulfanyl)adamantane
SMILESC1C2CC3CC1CC(C2)C3SSC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H30S2/c1-11-3-15-5-12(1)6-16(4-11)19(15)21-22-20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2
InChIKeyPVDUJGVAXZHGSZ-UHFFFAOYSA-N
MW334.59 g/mol
LogP6.02
Rot. Bonds3

About 2-(2-adamantyldisulfanyl)adamantane

2-(2-adamantyldisulfanyl)adamantane (PubChem CID 13117838) has the molecular formula C20H30S2 and a molecular weight of 334.59 g/mol. Its IUPAC name is 2-(2-adamantyldisulfanyl)adamantane.

Molecular Properties

Compound Name2-(2-adamantyldisulfanyl)adamantane
PubChem CID13117838
Molecular FormulaC20H30S2
Molecular Weight334.59 g/mol
Exact Mass334.18
IUPAC Name2-(2-adamantyldisulfanyl)adamantane
SMILESC1C2CC3CC1CC(C2)C3SSC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H30S2/c1-11-3-15-5-12(1)6-16(4-11)19(15)21-22-20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2
InChIKeyPVDUJGVAXZHGSZ-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Disulfide, bis(tricyclo(3.3.1.13,7)dec-1-yl)
CID 141935
Adamantane-2-thiol
CID 584813
Dithio adamantane
CID 129808398
2,4,6,8-Tetrathioadamantane
CID 129808265
4,6,8-Tetrathio-adamantane
CID 129819211
2,10-Bis-spiro(2-adamantiliden)-1,3,6,9,11,14-hexathiacyclohexadecane
CID 139058872
2-(2-Adamantylsulfanyloxysulfanyl)adamantane
CID 19834504
1-[(1-Adamantylmethyldisulfanyl)methyl]adamantane
CID 101217599
2-[(2-Adamantylmethyldisulfanyl)methyl]adamantane
CID 118588342
2-(Disulfanyl)adamantane
CID 148597481
2-(2-Adamantylsulfanyl)adamantane
CID 14367454
2-(2-Adamantyltrisulfanyl)adamantane
CID 14367455

Frequently Asked Questions

What is the IUPAC name of 2-(2-adamantyldisulfanyl)adamantane?
The IUPAC name of 2-(2-adamantyldisulfanyl)adamantane (CID 13117838) is 2-(2-adamantyldisulfanyl)adamantane.
What is the SMILES notation for 2-(2-adamantyldisulfanyl)adamantane?
The canonical SMILES for 2-(2-adamantyldisulfanyl)adamantane is C1C2CC3CC1CC(C2)C3SSC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(2-adamantyldisulfanyl)adamantane?
The InChIKey is PVDUJGVAXZHGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30S2/c1-11-3-15-5-12(1)6-16(4-11)19(15)21-22-20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2.
What are the key properties of 2-(2-adamantyldisulfanyl)adamantane?
2-(2-adamantyldisulfanyl)adamantane has a molecular weight of 334.59 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantyldisulfanyl)adamantane is sourced from PubChem (CID 13117838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).