methyl pyrrolidine-1-carbodithioate

C6H11NS2 — CID 12647036

IUPACmethyl pyrrolidine-1-carbodithioate
SMILESCSC(=S)N1CCCC1
InChIInChI=1S/C6H11NS2/c1-9-6(8)7-4-2-3-5-7/h2-5H2,1H3
InChIKeyFXJXLDWYONEXNI-UHFFFAOYSA-N
MW161.29 g/mol
LogP1.73
Rot. Bonds

About methyl pyrrolidine-1-carbodithioate

methyl pyrrolidine-1-carbodithioate (PubChem CID 12647036) has the molecular formula C6H11NS2 and a molecular weight of 161.29 g/mol. Its IUPAC name is methyl pyrrolidine-1-carbodithioate.

Molecular Properties

Compound Namemethyl pyrrolidine-1-carbodithioate
PubChem CID12647036
Molecular FormulaC6H11NS2
Molecular Weight161.29 g/mol
Exact Mass161.03
IUPAC Namemethyl pyrrolidine-1-carbodithioate
SMILESCSC(=S)N1CCCC1
InChIInChI=1S/C6H11NS2/c1-9-6(8)7-4-2-3-5-7/h2-5H2,1H3
InChIKeyFXJXLDWYONEXNI-UHFFFAOYSA-N
XLogP1.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.29
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 methyl pyrrolidine-1-carbodithioate?
The IUPAC name of methyl pyrrolidine-1-carbodithioate (CID 12647036) is methyl pyrrolidine-1-carbodithioate.
What is the SMILES notation for methyl pyrrolidine-1-carbodithioate?
The canonical SMILES for methyl pyrrolidine-1-carbodithioate is CSC(=S)N1CCCC1.
What is the InChIKey of methyl pyrrolidine-1-carbodithioate?
The InChIKey is FXJXLDWYONEXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS2/c1-9-6(8)7-4-2-3-5-7/h2-5H2,1H3.
What are the key properties of methyl pyrrolidine-1-carbodithioate?
methyl pyrrolidine-1-carbodithioate has a molecular weight of 161.29 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl pyrrolidine-1-carbodithioate is sourced from PubChem (CID 12647036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).