5-methylpyrrolidine-2,4-dithione

C5H7NS2 — CID 137473196

IUPAC5-methylpyrrolidine-2,4-dithione
SMILESCC1NC(=S)CC1=S
InChIInChI=1S/C5H7NS2/c1-3-4(7)2-5(8)6-3/h3H,2H2,1H3,(H,6,8)
InChIKeyVUODLDUZXHEZLF-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.07
Rot. Bonds

About 5-methylpyrrolidine-2,4-dithione

5-methylpyrrolidine-2,4-dithione (PubChem CID 137473196) has the molecular formula C5H7NS2 and a molecular weight of 145.25 g/mol. Its IUPAC name is 5-methylpyrrolidine-2,4-dithione.

Molecular Properties

Compound Name5-methylpyrrolidine-2,4-dithione
PubChem CID137473196
Molecular FormulaC5H7NS2
Molecular Weight145.25 g/mol
Exact Mass145.00
IUPAC Name5-methylpyrrolidine-2,4-dithione
SMILESCC1NC(=S)CC1=S
InChIInChI=1S/C5H7NS2/c1-3-4(7)2-5(8)6-3/h3H,2H2,1H3,(H,6,8)
InChIKeyVUODLDUZXHEZLF-UHFFFAOYSA-N
XLogP1.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-methyl-4-sulfanylidenepyrrolidin-2-one
CID 137473212
(3R,5R)-3-hydroxy-3,5-dimethylpyrrolidine-2-thione
CID 55299995
6-methylpiperazine-2-thione
CID 72658874
4-methylcyclopentane-1,3-dithione
CID 137473199
6-amino-2-methyl-1,3-diazinane-4-thione
CID 72728890
(5R)-5-methylpyrrolidine-2,4-dione
CID 98474157
(4S)-4-methyl-1,3-diazinane-2-thione
CID 87683022
4-methyl-1,3-selenazolidine-2-thione
CID 88784380
(1R,5S,8R)-1,8-dimethyl-3-azabicyclo[3.2.1]octane-2,4-dithione
CID 45098963
ethane;5-methyl-2-sulfanylideneimidazolidin-4-one
CID 142805949
(4S)-4-methyl-2-sulfanylidene-1,3-oxazolidin-5-one
CID 45086589
5-methyl-2-sulfanylideneimidazolidin-3-id-4-one;rubidium(1+)
CID 143227751

Frequently Asked Questions

What is the IUPAC name of 5-methylpyrrolidine-2,4-dithione?
The IUPAC name of 5-methylpyrrolidine-2,4-dithione (CID 137473196) is 5-methylpyrrolidine-2,4-dithione.
What is the SMILES notation for 5-methylpyrrolidine-2,4-dithione?
The canonical SMILES for 5-methylpyrrolidine-2,4-dithione is CC1NC(=S)CC1=S.
What is the InChIKey of 5-methylpyrrolidine-2,4-dithione?
The InChIKey is VUODLDUZXHEZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS2/c1-3-4(7)2-5(8)6-3/h3H,2H2,1H3,(H,6,8).
What are the key properties of 5-methylpyrrolidine-2,4-dithione?
5-methylpyrrolidine-2,4-dithione has a molecular weight of 145.25 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpyrrolidine-2,4-dithione is sourced from PubChem (CID 137473196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).