2-[2-(thiolan-2-yl)cyclohexyl]thiolane

C14H24S2 — CID 173028007

IUPAC2-[2-(thiolan-2-yl)cyclohexyl]thiolane
SMILESC1CSC(C2CCCCC2C2CCCS2)C1
InChIInChI=1S/C14H24S2/c1-2-6-12(14-8-4-10-16-14)11(5-1)13-7-3-9-15-13/h11-14H,1-10H2
InChIKeyCXBRNXFXLRVJHK-UHFFFAOYSA-N
MW256.48 g/mol
LogP4.58
Rot. Bonds2

About 2-[2-(thiolan-2-yl)cyclohexyl]thiolane

2-[2-(thiolan-2-yl)cyclohexyl]thiolane (PubChem CID 173028007) has the molecular formula C14H24S2 and a molecular weight of 256.48 g/mol. Its IUPAC name is 2-[2-(thiolan-2-yl)cyclohexyl]thiolane.

Molecular Properties

Compound Name2-[2-(thiolan-2-yl)cyclohexyl]thiolane
PubChem CID173028007
Molecular FormulaC14H24S2
Molecular Weight256.48 g/mol
Exact Mass256.13
IUPAC Name2-[2-(thiolan-2-yl)cyclohexyl]thiolane
SMILESC1CSC(C2CCCCC2C2CCCS2)C1
InChIInChI=1S/C14H24S2/c1-2-6-12(14-8-4-10-16-14)11(5-1)13-7-3-9-15-13/h11-14H,1-10H2
InChIKeyCXBRNXFXLRVJHK-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromen-5-amine;hydrochloride
CID 71389042
2-cycloheptylthiolane
CID 173272603
bis(2-cycloheptylthiepane);hydrate
CID 70353044
7-thiatricyclo[6.3.0.02,6]undecane
CID 58594501
(2S)-2-methyl-3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]thiopyran
CID 138567195
1,2,3,3a,5,6,7,7a-octahydrothiopyrano[3,2-b]pyrrole
CID 82417838
2-(thiolan-2-yl)-1,3-oxazolidine
CID 117225672
2-[(1R,6R)-2-thiabicyclo[4.1.0]heptan-7-yl]acetic acid
CID 84654445
17-thiatetracyclo[8.7.0.03,8.011,16]heptadecane
CID 166041120
(1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane
CID 101375325
(2R)-thiolane-2-thiol
CID 88653030
2,3,4a,5,6,7,8,8a-octahydrothiochromen-4-one
CID 6424605

Frequently Asked Questions

What is the IUPAC name of 2-[2-(thiolan-2-yl)cyclohexyl]thiolane?
The IUPAC name of 2-[2-(thiolan-2-yl)cyclohexyl]thiolane (CID 173028007) is 2-[2-(thiolan-2-yl)cyclohexyl]thiolane.
What is the SMILES notation for 2-[2-(thiolan-2-yl)cyclohexyl]thiolane?
The canonical SMILES for 2-[2-(thiolan-2-yl)cyclohexyl]thiolane is C1CSC(C2CCCCC2C2CCCS2)C1.
What is the InChIKey of 2-[2-(thiolan-2-yl)cyclohexyl]thiolane?
The InChIKey is CXBRNXFXLRVJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24S2/c1-2-6-12(14-8-4-10-16-14)11(5-1)13-7-3-9-15-13/h11-14H,1-10H2.
What are the key properties of 2-[2-(thiolan-2-yl)cyclohexyl]thiolane?
2-[2-(thiolan-2-yl)cyclohexyl]thiolane has a molecular weight of 256.48 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(thiolan-2-yl)cyclohexyl]thiolane is sourced from PubChem (CID 173028007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).