2-hydroxyethyl pyrrolidine-1-carbodithioate

C7H13NOS2 — CID 71677633

IUPAC2-hydroxyethyl pyrrolidine-1-carbodithioate
SMILESOCCSC(=S)N1CCCC1
InChIInChI=1S/C7H13NOS2/c9-5-6-11-7(10)8-3-1-2-4-8/h9H,1-6H2
InChIKeyWGNPFOLIGNQBPH-UHFFFAOYSA-N
MW191.32 g/mol
LogP1.09
Rot. Bonds2

About 2-hydroxyethyl pyrrolidine-1-carbodithioate

2-hydroxyethyl pyrrolidine-1-carbodithioate (PubChem CID 71677633) has the molecular formula C7H13NOS2 and a molecular weight of 191.32 g/mol. Its IUPAC name is 2-hydroxyethyl pyrrolidine-1-carbodithioate.

Molecular Properties

Compound Name2-hydroxyethyl pyrrolidine-1-carbodithioate
PubChem CID71677633
Molecular FormulaC7H13NOS2
Molecular Weight191.32 g/mol
Exact Mass191.04
IUPAC Name2-hydroxyethyl pyrrolidine-1-carbodithioate
SMILESOCCSC(=S)N1CCCC1
InChIInChI=1S/C7H13NOS2/c9-5-6-11-7(10)8-3-1-2-4-8/h9H,1-6H2
InChIKeyWGNPFOLIGNQBPH-UHFFFAOYSA-N
XLogP1.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl pyrrolidine-1-carbodithioate?
The IUPAC name of 2-hydroxyethyl pyrrolidine-1-carbodithioate (CID 71677633) is 2-hydroxyethyl pyrrolidine-1-carbodithioate.
What is the SMILES notation for 2-hydroxyethyl pyrrolidine-1-carbodithioate?
The canonical SMILES for 2-hydroxyethyl pyrrolidine-1-carbodithioate is OCCSC(=S)N1CCCC1.
What is the InChIKey of 2-hydroxyethyl pyrrolidine-1-carbodithioate?
The InChIKey is WGNPFOLIGNQBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS2/c9-5-6-11-7(10)8-3-1-2-4-8/h9H,1-6H2.
What are the key properties of 2-hydroxyethyl pyrrolidine-1-carbodithioate?
2-hydroxyethyl pyrrolidine-1-carbodithioate has a molecular weight of 191.32 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl pyrrolidine-1-carbodithioate is sourced from PubChem (CID 71677633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).