3-propan-2-yl-1,2,4-trithiolane

C5H10S3 — CID 45096303

IUPAC3-propan-2-yl-1,2,4-trithiolane
SMILESCC(C)C1SCSS1
InChIInChI=1S/C5H10S3/c1-4(2)5-6-3-7-8-5/h4-5H,3H2,1-2H3
InChIKeyYDKYPHWHCMHUOM-UHFFFAOYSA-N
MW166.34 g/mol
LogP3.05
Rot. Bonds1

About 3-propan-2-yl-1,2,4-trithiolane

3-propan-2-yl-1,2,4-trithiolane (PubChem CID 45096303) has the molecular formula C5H10S3 and a molecular weight of 166.34 g/mol. Its IUPAC name is 3-propan-2-yl-1,2,4-trithiolane.

Molecular Properties

Compound Name3-propan-2-yl-1,2,4-trithiolane
PubChem CID45096303
Molecular FormulaC5H10S3
Molecular Weight166.34 g/mol
Exact Mass165.99
IUPAC Name3-propan-2-yl-1,2,4-trithiolane
SMILESCC(C)C1SCSS1
InChIInChI=1S/C5H10S3/c1-4(2)5-6-3-7-8-5/h4-5H,3H2,1-2H3
InChIKeyYDKYPHWHCMHUOM-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

1-(1,3,5-trithian-2-yl)ethanethiol
CID 174398696
1-(1,3,5-trithian-2-yl)ethanol
CID 22891749
3-methyl-5-propan-2-yl-1,2,4-trithiolane
CID 529051
2-propan-2-ylthiirane;hydrochloride
CID 175181688
3-propan-2-yl-6-propan-2-ylidene-1,2,4,5-tetrathiane
CID 131858780
1-(1,3-dithiolan-2-yl)ethanethiol
CID 174424849
1-[4-(1-sulfanylpropyl)-1,3,5-trithian-2-yl]propane-1-thiol
CID 22238756
(2R)-2-methyl-3-propan-2-ylthietane
CID 118612980
2-tert-butyl-3-propan-2-yl-1,4-dithiepane
CID 170289624
dithiirane;ethane
CID 161173072
(2S)-2,4-di(propan-2-yl)thiomorpholine
CID 170688101
4-propan-2-yl-3-propan-2-yloxydithiolane
CID 169266872

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,2,4-trithiolane?
The IUPAC name of 3-propan-2-yl-1,2,4-trithiolane (CID 45096303) is 3-propan-2-yl-1,2,4-trithiolane.
What is the SMILES notation for 3-propan-2-yl-1,2,4-trithiolane?
The canonical SMILES for 3-propan-2-yl-1,2,4-trithiolane is CC(C)C1SCSS1.
What is the InChIKey of 3-propan-2-yl-1,2,4-trithiolane?
The InChIKey is YDKYPHWHCMHUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S3/c1-4(2)5-6-3-7-8-5/h4-5H,3H2,1-2H3.
What are the key properties of 3-propan-2-yl-1,2,4-trithiolane?
3-propan-2-yl-1,2,4-trithiolane has a molecular weight of 166.34 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,2,4-trithiolane is sourced from PubChem (CID 45096303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).