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

C12H18S2 — CID 607837

IUPACspiro[1,3-dithiolane-2,2'-adamantane]
SMILESC1CSC2(S1)C1CC3CC(C1)CC2C3
InChIInChI=1S/C12H18S2/c1-2-14-12(13-1)10-4-8-3-9(6-10)7-11(12)5-8/h8-11H,1-7H2
InChIKeyMVBPWAFKKIVQMV-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.62
Rot. Bonds

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

spiro[1,3-dithiolane-2,2'-adamantane] (PubChem CID 607837) has the molecular formula C12H18S2 and a molecular weight of 226.41 g/mol. Its IUPAC name is spiro[1,3-dithiolane-2,2'-adamantane].

Molecular Properties

Compound Namespiro[1,3-dithiolane-2,2'-adamantane]
PubChem CID607837
Molecular FormulaC12H18S2
Molecular Weight226.41 g/mol
Exact Mass226.08
IUPAC Namespiro[1,3-dithiolane-2,2'-adamantane]
SMILESC1CSC2(S1)C1CC3CC(C1)CC2C3
InChIInChI=1S/C12H18S2/c1-2-14-12(13-1)10-4-8-3-9(6-10)7-11(12)5-8/h8-11H,1-7H2
InChIKeyMVBPWAFKKIVQMV-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dithiolane-2,2'-adamantane]?
The IUPAC name of spiro[1,3-dithiolane-2,2'-adamantane] (CID 607837) is spiro[1,3-dithiolane-2,2'-adamantane].
What is the SMILES notation for spiro[1,3-dithiolane-2,2'-adamantane]?
The canonical SMILES for spiro[1,3-dithiolane-2,2'-adamantane] is C1CSC2(S1)C1CC3CC(C1)CC2C3.
What is the InChIKey of spiro[1,3-dithiolane-2,2'-adamantane]?
The InChIKey is MVBPWAFKKIVQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18S2/c1-2-14-12(13-1)10-4-8-3-9(6-10)7-11(12)5-8/h8-11H,1-7H2.
What are the key properties of spiro[1,3-dithiolane-2,2'-adamantane]?
spiro[1,3-dithiolane-2,2'-adamantane] has a molecular weight of 226.41 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dithiolane-2,2'-adamantane] is sourced from PubChem (CID 607837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).