2-(2-adamantylidene)-1,3-dithiane

C14H20S2 — CID 10934005

IUPAC2-(2-adamantylidene)-1,3-dithiane
SMILESC1CSC(=C2C3CC4CC(C3)CC2C4)SC1
InChIInChI=1S/C14H20S2/c1-2-15-14(16-3-1)13-11-5-9-4-10(7-11)8-12(13)6-9/h9-12H,1-8H2
InChIKeyHOAMPKSGHCJYTL-UHFFFAOYSA-N
MW252.45 g/mol
LogP4.52
Rot. Bonds

About 2-(2-adamantylidene)-1,3-dithiane

2-(2-adamantylidene)-1,3-dithiane (PubChem CID 10934005) has the molecular formula C14H20S2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-(2-adamantylidene)-1,3-dithiane.

Molecular Properties

Compound Name2-(2-adamantylidene)-1,3-dithiane
PubChem CID10934005
Molecular FormulaC14H20S2
Molecular Weight252.45 g/mol
Exact Mass252.10
IUPAC Name2-(2-adamantylidene)-1,3-dithiane
SMILESC1CSC(=C2C3CC4CC(C3)CC2C4)SC1
InChIInChI=1S/C14H20S2/c1-2-15-14(16-3-1)13-11-5-9-4-10(7-11)8-12(13)6-9/h9-12H,1-8H2
InChIKeyHOAMPKSGHCJYTL-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-adamantylidene)-1,3-dithiane?
The IUPAC name of 2-(2-adamantylidene)-1,3-dithiane (CID 10934005) is 2-(2-adamantylidene)-1,3-dithiane.
What is the SMILES notation for 2-(2-adamantylidene)-1,3-dithiane?
The canonical SMILES for 2-(2-adamantylidene)-1,3-dithiane is C1CSC(=C2C3CC4CC(C3)CC2C4)SC1.
What is the InChIKey of 2-(2-adamantylidene)-1,3-dithiane?
The InChIKey is HOAMPKSGHCJYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20S2/c1-2-15-14(16-3-1)13-11-5-9-4-10(7-11)8-12(13)6-9/h9-12H,1-8H2.
What are the key properties of 2-(2-adamantylidene)-1,3-dithiane?
2-(2-adamantylidene)-1,3-dithiane has a molecular weight of 252.45 g/mol, XLogP of 4.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantylidene)-1,3-dithiane is sourced from PubChem (CID 10934005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).