2-(4-methylcyclohexylidene)-1,3-dithiane

C11H18S2 — CID 21057413

IUPAC2-(4-methylcyclohexylidene)-1,3-dithiane
SMILESCC1CCC(=C2SCCCS2)CC1
InChIInChI=1S/C11H18S2/c1-9-3-5-10(6-4-9)11-12-7-2-8-13-11/h9H,2-8H2,1H3
InChIKeyNEPAWMMXMULRNI-UHFFFAOYSA-N
MW214.40 g/mol
LogP4.28
Rot. Bonds

About 2-(4-methylcyclohexylidene)-1,3-dithiane

2-(4-methylcyclohexylidene)-1,3-dithiane (PubChem CID 21057413) has the molecular formula C11H18S2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 2-(4-methylcyclohexylidene)-1,3-dithiane.

Molecular Properties

Compound Name2-(4-methylcyclohexylidene)-1,3-dithiane
PubChem CID21057413
Molecular FormulaC11H18S2
Molecular Weight214.40 g/mol
Exact Mass214.08
IUPAC Name2-(4-methylcyclohexylidene)-1,3-dithiane
SMILESCC1CCC(=C2SCCCS2)CC1
InChIInChI=1S/C11H18S2/c1-9-3-5-10(6-4-9)11-12-7-2-8-13-11/h9H,2-8H2,1H3
InChIKeyNEPAWMMXMULRNI-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexylidene)-1,3-dithiane?
The IUPAC name of 2-(4-methylcyclohexylidene)-1,3-dithiane (CID 21057413) is 2-(4-methylcyclohexylidene)-1,3-dithiane.
What is the SMILES notation for 2-(4-methylcyclohexylidene)-1,3-dithiane?
The canonical SMILES for 2-(4-methylcyclohexylidene)-1,3-dithiane is CC1CCC(=C2SCCCS2)CC1.
What is the InChIKey of 2-(4-methylcyclohexylidene)-1,3-dithiane?
The InChIKey is NEPAWMMXMULRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18S2/c1-9-3-5-10(6-4-9)11-12-7-2-8-13-11/h9H,2-8H2,1H3.
What are the key properties of 2-(4-methylcyclohexylidene)-1,3-dithiane?
2-(4-methylcyclohexylidene)-1,3-dithiane has a molecular weight of 214.40 g/mol, XLogP of 4.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexylidene)-1,3-dithiane is sourced from PubChem (CID 21057413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).