2-(methylsulfanylmethylidene)adamantane

C12H18S — CID 13448400

IUPAC2-(methylsulfanylmethylidene)adamantane
SMILESCSC=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H18S/c1-13-7-12-10-3-8-2-9(5-10)6-11(12)4-8/h7-11H,2-6H2,1H3/b12-7-
InChIKeyHHVZDNGKQXMVTP-GHXNOFRVSA-N
MW194.34 g/mol
LogP3.69
Rot. Bonds1

About 2-(methylsulfanylmethylidene)adamantane

2-(methylsulfanylmethylidene)adamantane (PubChem CID 13448400) has the molecular formula C12H18S and a molecular weight of 194.34 g/mol. Its IUPAC name is 2-(methylsulfanylmethylidene)adamantane.

Molecular Properties

Compound Name2-(methylsulfanylmethylidene)adamantane
PubChem CID13448400
Molecular FormulaC12H18S
Molecular Weight194.34 g/mol
Exact Mass194.11
IUPAC Name2-(methylsulfanylmethylidene)adamantane
SMILESCSC=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H18S/c1-13-7-12-10-3-8-2-9(5-10)6-11(12)4-8/h7-11H,2-6H2,1H3/b12-7-
InChIKeyHHVZDNGKQXMVTP-GHXNOFRVSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethylidene)adamantane?
The IUPAC name of 2-(methylsulfanylmethylidene)adamantane (CID 13448400) is 2-(methylsulfanylmethylidene)adamantane.
What is the SMILES notation for 2-(methylsulfanylmethylidene)adamantane?
The canonical SMILES for 2-(methylsulfanylmethylidene)adamantane is CSC=C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(methylsulfanylmethylidene)adamantane?
The InChIKey is HHVZDNGKQXMVTP-GHXNOFRVSA-N. The full InChI is InChI=1S/C12H18S/c1-13-7-12-10-3-8-2-9(5-10)6-11(12)4-8/h7-11H,2-6H2,1H3/b12-7-.
What are the key properties of 2-(methylsulfanylmethylidene)adamantane?
2-(methylsulfanylmethylidene)adamantane has a molecular weight of 194.34 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethylidene)adamantane is sourced from PubChem (CID 13448400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).