trimethyl-[3-(trimethyl-λ4-sulfanyl)-1-adamantyl]-λ4-sulfane

C16H32S2 — CID 71189066

IUPACtrimethyl-[3-(trimethyl-λ4-sulfanyl)-1-adamantyl]-λ4-sulfane
SMILESCS(C)(C)C12CC3CC(C1)CC(S(C)(C)C)(C3)C2
InChIInChI=1S/C16H32S2/c1-17(2,3)15-8-13-7-14(9-15)11-16(10-13,12-15)18(4,5)6/h13-14H,7-12H2,1-6H3
InChIKeyVKVMGCWPVMIHFA-UHFFFAOYSA-N
MW288.57 g/mol
LogP4.47
Rot. Bonds2

About trimethyl-[3-(trimethyl-λ4-sulfanyl)-1-adamantyl]-λ4-sulfane

trimethyl-[3-(trimethyl-λ4-sulfanyl)-1-adamantyl]-λ4-sulfane (PubChem CID 71189066) has the molecular formula C16H32S2 and a molecular weight of 288.57 g/mol. Its IUPAC name is trimethyl-[3-(trimethyl-λ4-sulfanyl)-1-adamantyl]-λ4-sulfane.

Molecular Properties

Compound Nametrimethyl-[3-(trimethyl-λ4-sulfanyl)-1-adamantyl]-λ4-sulfane
PubChem CID71189066
Molecular FormulaC16H32S2
Molecular Weight288.57 g/mol
Exact Mass288.19
IUPAC Nametrimethyl-[3-(trimethyl-λ4-sulfanyl)-1-adamantyl]-λ4-sulfane
SMILESCS(C)(C)C12CC3CC(C1)CC(S(C)(C)C)(C3)C2
InChIInChI=1S/C16H32S2/c1-17(2,3)15-8-13-7-14(9-15)11-16(10-13,12-15)18(4,5)6/h13-14H,7-12H2,1-6H3
InChIKeyVKVMGCWPVMIHFA-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.57
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-(trimethyl-λ4-sulfanyl)-1-adamantyl]-λ4-sulfane?
The IUPAC name of trimethyl-[3-(trimethyl-λ4-sulfanyl)-1-adamantyl]-λ4-sulfane (CID 71189066) is trimethyl-[3-(trimethyl-λ4-sulfanyl)-1-adamantyl]-λ4-sulfane.
What is the SMILES notation for trimethyl-[3-(trimethyl-λ4-sulfanyl)-1-adamantyl]-λ4-sulfane?
The canonical SMILES for trimethyl-[3-(trimethyl-λ4-sulfanyl)-1-adamantyl]-λ4-sulfane is CS(C)(C)C12CC3CC(C1)CC(S(C)(C)C)(C3)C2.
What is the InChIKey of trimethyl-[3-(trimethyl-λ4-sulfanyl)-1-adamantyl]-λ4-sulfane?
The InChIKey is VKVMGCWPVMIHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32S2/c1-17(2,3)15-8-13-7-14(9-15)11-16(10-13,12-15)18(4,5)6/h13-14H,7-12H2,1-6H3.
What are the key properties of trimethyl-[3-(trimethyl-λ4-sulfanyl)-1-adamantyl]-λ4-sulfane?
trimethyl-[3-(trimethyl-λ4-sulfanyl)-1-adamantyl]-λ4-sulfane has a molecular weight of 288.57 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-(trimethyl-λ4-sulfanyl)-1-adamantyl]-λ4-sulfane is sourced from PubChem (CID 71189066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).