2-(cyclohexylmethylidene)-1,3-dithiane

C11H18S2 — CID 13382290

IUPAC2-(cyclohexylmethylidene)-1,3-dithiane
SMILESC(=C1SCCCS1)C1CCCCC1
InChIInChI=1S/C11H18S2/c1-2-5-10(6-3-1)9-11-12-7-4-8-13-11/h9-10H,1-8H2
InChIKeySGZIPBRRMXLUQB-UHFFFAOYSA-N
MW214.40 g/mol
LogP4.28
Rot. Bonds1

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

2-(cyclohexylmethylidene)-1,3-dithiane (PubChem CID 13382290) has the molecular formula C11H18S2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 2-(cyclohexylmethylidene)-1,3-dithiane.

Molecular Properties

Compound Name2-(cyclohexylmethylidene)-1,3-dithiane
PubChem CID13382290
Molecular FormulaC11H18S2
Molecular Weight214.40 g/mol
Exact Mass214.08
IUPAC Name2-(cyclohexylmethylidene)-1,3-dithiane
SMILESC(=C1SCCCS1)C1CCCCC1
InChIInChI=1S/C11H18S2/c1-2-5-10(6-3-1)9-11-12-7-4-8-13-11/h9-10H,1-8H2
InChIKeySGZIPBRRMXLUQB-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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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Related Compounds

(1R,3R)-2-(cyclohexylmethylidene)-1,3-dithiane 1,3-dioxide
CID 10562395
[2,2-Bis(ethylsulfanyl)ethenyl]cyclohexane
CID 71354337
2-(Cyclohexylmethylidene)-1,3-dithiane 1,3-dioxide
CID 85186519
2-(4-Pentylcyclohexylidene)-1,3-dithiane
CID 9943364
2-(thian-3-yl)-3,4-dihydro-2H-thiopyran
CID 20475573
2-(4-Propylcyclohexylidene)-1,3-dithiane
CID 20802024
2-(4-Methylcyclohexylidene)-1,3-dithiane
CID 21057413
4-Cyclohexyl-1,3-dithiole
CID 57069148
2-((3S,5R)-3,5-Dimethyl-cyclohexylidene)-[1,3]dithiane
CID 69223828
2-(3,5-Dimethylcyclohexylidene)-1,3-dithiane
CID 77624030
2,3,4,4a,5,6-Hexahydrothiochromene
CID 163965867
2-[[(1S,2R)-2-methylcyclohexyl]methylidene]-1,3-dithiane
CID 11138914

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylidene)-1,3-dithiane?
The IUPAC name of 2-(cyclohexylmethylidene)-1,3-dithiane (CID 13382290) is 2-(cyclohexylmethylidene)-1,3-dithiane.
What is the SMILES notation for 2-(cyclohexylmethylidene)-1,3-dithiane?
The canonical SMILES for 2-(cyclohexylmethylidene)-1,3-dithiane is C(=C1SCCCS1)C1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethylidene)-1,3-dithiane?
The InChIKey is SGZIPBRRMXLUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18S2/c1-2-5-10(6-3-1)9-11-12-7-4-8-13-11/h9-10H,1-8H2.
What are the key properties of 2-(cyclohexylmethylidene)-1,3-dithiane?
2-(cyclohexylmethylidene)-1,3-dithiane has a molecular weight of 214.40 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylidene)-1,3-dithiane is sourced from PubChem (CID 13382290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).