propan-2-yl 2-hydroxyethanedithioate

C5H10OS2 — CID 91188291

IUPACpropan-2-yl 2-hydroxyethanedithioate
SMILESCC(C)SC(=S)CO
InChIInChI=1S/C5H10OS2/c1-4(2)8-5(7)3-6/h4,6H,3H2,1-2H3
InChIKeyULYGMUPLBBZVAN-UHFFFAOYSA-N
MW150.27 g/mol
LogP1.45
Rot. Bonds2

About propan-2-yl 2-hydroxyethanedithioate

propan-2-yl 2-hydroxyethanedithioate (PubChem CID 91188291) has the molecular formula C5H10OS2 and a molecular weight of 150.27 g/mol. Its IUPAC name is propan-2-yl 2-hydroxyethanedithioate.

Molecular Properties

Compound Namepropan-2-yl 2-hydroxyethanedithioate
PubChem CID91188291
Molecular FormulaC5H10OS2
Molecular Weight150.27 g/mol
Exact Mass150.02
IUPAC Namepropan-2-yl 2-hydroxyethanedithioate
SMILESCC(C)SC(=S)CO
InChIInChI=1S/C5H10OS2/c1-4(2)8-5(7)3-6/h4,6H,3H2,1-2H3
InChIKeyULYGMUPLBBZVAN-UHFFFAOYSA-N
XLogP1.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze propan-2-yl 2-hydroxyethanedithioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-ylsulfanylmethanedithioic acid
CID 175983905
(2S)-2-(propan-2-ylsulfanylcarbothioylamino)propanoic acid
CID 139195499
docosyl 2-hydroxyethanedithioate
CID 174514377
propan-2-yl dec-2-enedithioate
CID 54446660
methyl 4-chlorobutanedithioate
CID 55302963
S-propan-2-yl N-aminocarbamothioate
CID 88822344
propane-1,2-diol;silver
CID 158521790
S-propan-2-yl N-(3-methylbutyl)carbamothioate
CID 121263423
methyl 3-hydroxy-3-propan-2-ylhex-5-enedithioate
CID 102498194
[1-(butylamino)-1-oxopropan-2-yl] ethanedithioate
CID 20760689
dioctyltin;octyl 2-hydroxyethanedithioate
CID 161383308
[amino(propan-2-ylsulfanyl)methylidene]azanium
CID 4218396

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-hydroxyethanedithioate?
The IUPAC name of propan-2-yl 2-hydroxyethanedithioate (CID 91188291) is propan-2-yl 2-hydroxyethanedithioate.
What is the SMILES notation for propan-2-yl 2-hydroxyethanedithioate?
The canonical SMILES for propan-2-yl 2-hydroxyethanedithioate is CC(C)SC(=S)CO.
What is the InChIKey of propan-2-yl 2-hydroxyethanedithioate?
The InChIKey is ULYGMUPLBBZVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS2/c1-4(2)8-5(7)3-6/h4,6H,3H2,1-2H3.
What are the key properties of propan-2-yl 2-hydroxyethanedithioate?
propan-2-yl 2-hydroxyethanedithioate has a molecular weight of 150.27 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-hydroxyethanedithioate is sourced from PubChem (CID 91188291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).