2-[[3,5-bis(thiiran-2-ylmethyl)cyclohexyl]methyl]thiirane

C15H24S3 — CID 87707235

IUPAC2-[[3,5-bis(thiiran-2-ylmethyl)cyclohexyl]methyl]thiirane
SMILESC1C(CC2CS2)CC(CC2CS2)CC1CC1CS1
InChIInChI=1S/C15H24S3/c1-10(4-13-7-16-13)2-12(6-15-9-18-15)3-11(1)5-14-8-17-14/h10-15H,1-9H2
InChIKeyUARYDOMNEPFUSJ-UHFFFAOYSA-N
MW300.56 g/mol
LogP4.54
Rot. Bonds6

About 2-[[3,5-bis(thiiran-2-ylmethyl)cyclohexyl]methyl]thiirane

2-[[3,5-bis(thiiran-2-ylmethyl)cyclohexyl]methyl]thiirane (PubChem CID 87707235) has the molecular formula C15H24S3 and a molecular weight of 300.56 g/mol. Its IUPAC name is 2-[[3,5-bis(thiiran-2-ylmethyl)cyclohexyl]methyl]thiirane.

Molecular Properties

Compound Name2-[[3,5-bis(thiiran-2-ylmethyl)cyclohexyl]methyl]thiirane
PubChem CID87707235
Molecular FormulaC15H24S3
Molecular Weight300.56 g/mol
Exact Mass300.10
IUPAC Name2-[[3,5-bis(thiiran-2-ylmethyl)cyclohexyl]methyl]thiirane
SMILESC1C(CC2CS2)CC(CC2CS2)CC1CC1CS1
InChIInChI=1S/C15H24S3/c1-10(4-13-7-16-13)2-12(6-15-9-18-15)3-11(1)5-14-8-17-14/h10-15H,1-9H2
InChIKeyUARYDOMNEPFUSJ-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.56
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[[3-(thiiran-2-ylmethyl)cyclopentyl]methyl]thiirane
CID 87706863
2,5-bis(thiiran-2-ylmethyl)thiane
CID 87707145
(2S)-2-(chloromethyl)thiirane
CID 7157115
2-[[[(thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyldisulfanyl]methyl]thiirane
CID 122441293
[5-(hydroxymethyl)-1,4-dithian-2-yl]methanol
CID 22237254
5-butylthiolan-3-amine
CID 144998009
[5-[[[5-(sulfanylmethyl)-1,4-dithian-2-yl]methyldisulfanyl]methyl]-1,4-dithian-2-yl]methanethiol
CID 57056579
2-(methoxymethyl)thiirane
CID 29837
2-(thiiran-2-yl)acetaldehyde
CID 173123959
2-(thiiran-2-yl)ethane-1,1-diselenol
CID 174438951
(2S)-2-(cyclohexylmethyl)thiolane
CID 132938767
2-(cyclooctylmethyl)thiolane
CID 163438638

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-bis(thiiran-2-ylmethyl)cyclohexyl]methyl]thiirane?
The IUPAC name of 2-[[3,5-bis(thiiran-2-ylmethyl)cyclohexyl]methyl]thiirane (CID 87707235) is 2-[[3,5-bis(thiiran-2-ylmethyl)cyclohexyl]methyl]thiirane.
What is the SMILES notation for 2-[[3,5-bis(thiiran-2-ylmethyl)cyclohexyl]methyl]thiirane?
The canonical SMILES for 2-[[3,5-bis(thiiran-2-ylmethyl)cyclohexyl]methyl]thiirane is C1C(CC2CS2)CC(CC2CS2)CC1CC1CS1.
What is the InChIKey of 2-[[3,5-bis(thiiran-2-ylmethyl)cyclohexyl]methyl]thiirane?
The InChIKey is UARYDOMNEPFUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24S3/c1-10(4-13-7-16-13)2-12(6-15-9-18-15)3-11(1)5-14-8-17-14/h10-15H,1-9H2.
What are the key properties of 2-[[3,5-bis(thiiran-2-ylmethyl)cyclohexyl]methyl]thiirane?
2-[[3,5-bis(thiiran-2-ylmethyl)cyclohexyl]methyl]thiirane has a molecular weight of 300.56 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-bis(thiiran-2-ylmethyl)cyclohexyl]methyl]thiirane is sourced from PubChem (CID 87707235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).