(4S)-4-sulfanylpyrrolidine-2-thione

C4H7NS2 — CID 11051701

IUPAC(4S)-4-sulfanylpyrrolidine-2-thione
SMILESS=C1C[C@H](S)CN1
InChIInChI=1S/C4H7NS2/c6-3-1-4(7)5-2-3/h3,6H,1-2H2,(H,5,7)/t3-/m0/s1
InChIKeyLYIQZIIFYCXESX-VKHMYHEASA-N
MW133.24 g/mol
LogP0.61
Rot. Bonds

About (4S)-4-sulfanylpyrrolidine-2-thione

(4S)-4-sulfanylpyrrolidine-2-thione (PubChem CID 11051701) has the molecular formula C4H7NS2 and a molecular weight of 133.24 g/mol. Its IUPAC name is (4S)-4-sulfanylpyrrolidine-2-thione.

Molecular Properties

Compound Name(4S)-4-sulfanylpyrrolidine-2-thione
PubChem CID11051701
Molecular FormulaC4H7NS2
Molecular Weight133.24 g/mol
Exact Mass133.00
IUPAC Name(4S)-4-sulfanylpyrrolidine-2-thione
SMILESS=C1C[C@H](S)CN1
InChIInChI=1S/C4H7NS2/c6-3-1-4(7)5-2-3/h3,6H,1-2H2,(H,5,7)/t3-/m0/s1
InChIKeyLYIQZIIFYCXESX-VKHMYHEASA-N
XLogP0.61
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.24
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-sulfanylpyrrolidine-2-thione?
The IUPAC name of (4S)-4-sulfanylpyrrolidine-2-thione (CID 11051701) is (4S)-4-sulfanylpyrrolidine-2-thione.
What is the SMILES notation for (4S)-4-sulfanylpyrrolidine-2-thione?
The canonical SMILES for (4S)-4-sulfanylpyrrolidine-2-thione is S=C1C[C@H](S)CN1.
What is the InChIKey of (4S)-4-sulfanylpyrrolidine-2-thione?
The InChIKey is LYIQZIIFYCXESX-VKHMYHEASA-N. The full InChI is InChI=1S/C4H7NS2/c6-3-1-4(7)5-2-3/h3,6H,1-2H2,(H,5,7)/t3-/m0/s1.
What are the key properties of (4S)-4-sulfanylpyrrolidine-2-thione?
(4S)-4-sulfanylpyrrolidine-2-thione has a molecular weight of 133.24 g/mol, XLogP of 0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-sulfanylpyrrolidine-2-thione is sourced from PubChem (CID 11051701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).