2-cyclohexyl-1,3-dithiane

C10H18S2 — CID 11310203

IUPAC2-cyclohexyl-1,3-dithiane
SMILESC1CCC(C2SCCCS2)CC1
InChIInChI=1S/C10H18S2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h9-10H,1-8H2
InChIKeyYQSAPDQJFZPHOJ-UHFFFAOYSA-N
MW202.39 g/mol
LogP3.76
Rot. Bonds1

About 2-cyclohexyl-1,3-dithiane

2-cyclohexyl-1,3-dithiane (PubChem CID 11310203) has the molecular formula C10H18S2 and a molecular weight of 202.39 g/mol. Its IUPAC name is 2-cyclohexyl-1,3-dithiane.

Molecular Properties

Compound Name2-cyclohexyl-1,3-dithiane
PubChem CID11310203
Molecular FormulaC10H18S2
Molecular Weight202.39 g/mol
Exact Mass202.08
IUPAC Name2-cyclohexyl-1,3-dithiane
SMILESC1CCC(C2SCCCS2)CC1
InChIInChI=1S/C10H18S2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h9-10H,1-8H2
InChIKeyYQSAPDQJFZPHOJ-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.39
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1,3-dithiane?
The IUPAC name of 2-cyclohexyl-1,3-dithiane (CID 11310203) is 2-cyclohexyl-1,3-dithiane.
What is the SMILES notation for 2-cyclohexyl-1,3-dithiane?
The canonical SMILES for 2-cyclohexyl-1,3-dithiane is C1CCC(C2SCCCS2)CC1.
What is the InChIKey of 2-cyclohexyl-1,3-dithiane?
The InChIKey is YQSAPDQJFZPHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h9-10H,1-8H2.
What are the key properties of 2-cyclohexyl-1,3-dithiane?
2-cyclohexyl-1,3-dithiane has a molecular weight of 202.39 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,3-dithiane is sourced from PubChem (CID 11310203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).