1-methylpyrrolidine-2,5-dithione

C5H7NS2 — CID 13265985

IUPAC1-methylpyrrolidine-2,5-dithione
SMILESCN1C(=S)CCC1=S
InChIInChI=1S/C5H7NS2/c1-6-4(7)2-3-5(6)8/h2-3H2,1H3
InChIKeyDHTZLOBHDHFVHK-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.37
Rot. Bonds

About 1-methylpyrrolidine-2,5-dithione

1-methylpyrrolidine-2,5-dithione (PubChem CID 13265985) has the molecular formula C5H7NS2 and a molecular weight of 145.25 g/mol. Its IUPAC name is 1-methylpyrrolidine-2,5-dithione.

Molecular Properties

Compound Name1-methylpyrrolidine-2,5-dithione
PubChem CID13265985
Molecular FormulaC5H7NS2
Molecular Weight145.25 g/mol
Exact Mass145.00
IUPAC Name1-methylpyrrolidine-2,5-dithione
SMILESCN1C(=S)CCC1=S
InChIInChI=1S/C5H7NS2/c1-6-4(7)2-3-5(6)8/h2-3H2,1H3
InChIKeyDHTZLOBHDHFVHK-UHFFFAOYSA-N
XLogP1.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.37
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 1-methylpyrrolidine-2,5-dithione?
The IUPAC name of 1-methylpyrrolidine-2,5-dithione (CID 13265985) is 1-methylpyrrolidine-2,5-dithione.
What is the SMILES notation for 1-methylpyrrolidine-2,5-dithione?
The canonical SMILES for 1-methylpyrrolidine-2,5-dithione is CN1C(=S)CCC1=S.
What is the InChIKey of 1-methylpyrrolidine-2,5-dithione?
The InChIKey is DHTZLOBHDHFVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS2/c1-6-4(7)2-3-5(6)8/h2-3H2,1H3.
What are the key properties of 1-methylpyrrolidine-2,5-dithione?
1-methylpyrrolidine-2,5-dithione has a molecular weight of 145.25 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidine-2,5-dithione is sourced from PubChem (CID 13265985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).