spiro[1,3-dithiane-2,2'-adamantane]

C13H20S2 — CID 12927839

IUPACspiro[1,3-dithiane-2,2'-adamantane]
SMILESC1CSC2(SC1)C1CC3CC(C1)CC2C3
InChIInChI=1S/C13H20S2/c1-2-14-13(15-3-1)11-5-9-4-10(7-11)8-12(13)6-9/h9-12H,1-8H2
InChIKeyDUAQDOUPJSTEAC-UHFFFAOYSA-N
MW240.44 g/mol
LogP4.01
Rot. Bonds

About spiro[1,3-dithiane-2,2'-adamantane]

spiro[1,3-dithiane-2,2'-adamantane] (PubChem CID 12927839) has the molecular formula C13H20S2 and a molecular weight of 240.44 g/mol. Its IUPAC name is spiro[1,3-dithiane-2,2'-adamantane].

Molecular Properties

Compound Namespiro[1,3-dithiane-2,2'-adamantane]
PubChem CID12927839
Molecular FormulaC13H20S2
Molecular Weight240.44 g/mol
Exact Mass240.10
IUPAC Namespiro[1,3-dithiane-2,2'-adamantane]
SMILESC1CSC2(SC1)C1CC3CC(C1)CC2C3
InChIInChI=1S/C13H20S2/c1-2-14-13(15-3-1)11-5-9-4-10(7-11)8-12(13)6-9/h9-12H,1-8H2
InChIKeyDUAQDOUPJSTEAC-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.44
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dithiane-2,2'-adamantane]?
The IUPAC name of spiro[1,3-dithiane-2,2'-adamantane] (CID 12927839) is spiro[1,3-dithiane-2,2'-adamantane].
What is the SMILES notation for spiro[1,3-dithiane-2,2'-adamantane]?
The canonical SMILES for spiro[1,3-dithiane-2,2'-adamantane] is C1CSC2(SC1)C1CC3CC(C1)CC2C3.
What is the InChIKey of spiro[1,3-dithiane-2,2'-adamantane]?
The InChIKey is DUAQDOUPJSTEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20S2/c1-2-14-13(15-3-1)11-5-9-4-10(7-11)8-12(13)6-9/h9-12H,1-8H2.
What are the key properties of spiro[1,3-dithiane-2,2'-adamantane]?
spiro[1,3-dithiane-2,2'-adamantane] has a molecular weight of 240.44 g/mol, XLogP of 4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dithiane-2,2'-adamantane] is sourced from PubChem (CID 12927839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).