2-cyclohexylidene-6-methylthiane

C12H20S — CID 135174202

IUPAC2-cyclohexylidene-6-methylthiane
SMILESCC1CCCC(=C2CCCCC2)S1
InChIInChI=1S/C12H20S/c1-10-6-5-9-12(13-10)11-7-3-2-4-8-11/h10H,2-9H2,1H3
InChIKeyPCDWQZASFJJYGL-UHFFFAOYSA-N
MW196.36 g/mol
LogP4.51
Rot. Bonds

About 2-cyclohexylidene-6-methylthiane

2-cyclohexylidene-6-methylthiane (PubChem CID 135174202) has the molecular formula C12H20S and a molecular weight of 196.36 g/mol. Its IUPAC name is 2-cyclohexylidene-6-methylthiane.

Molecular Properties

Compound Name2-cyclohexylidene-6-methylthiane
PubChem CID135174202
Molecular FormulaC12H20S
Molecular Weight196.36 g/mol
Exact Mass196.13
IUPAC Name2-cyclohexylidene-6-methylthiane
SMILESCC1CCCC(=C2CCCCC2)S1
InChIInChI=1S/C12H20S/c1-10-6-5-9-12(13-10)11-7-3-2-4-8-11/h10H,2-9H2,1H3
InChIKeyPCDWQZASFJJYGL-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylidene-6-methylthiane?
The IUPAC name of 2-cyclohexylidene-6-methylthiane (CID 135174202) is 2-cyclohexylidene-6-methylthiane.
What is the SMILES notation for 2-cyclohexylidene-6-methylthiane?
The canonical SMILES for 2-cyclohexylidene-6-methylthiane is CC1CCCC(=C2CCCCC2)S1.
What is the InChIKey of 2-cyclohexylidene-6-methylthiane?
The InChIKey is PCDWQZASFJJYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20S/c1-10-6-5-9-12(13-10)11-7-3-2-4-8-11/h10H,2-9H2,1H3.
What are the key properties of 2-cyclohexylidene-6-methylthiane?
2-cyclohexylidene-6-methylthiane has a molecular weight of 196.36 g/mol, XLogP of 4.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylidene-6-methylthiane is sourced from PubChem (CID 135174202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).