pyrrolidin-1-yl(thiophen-2-yl)methanethione

C9H11NS2 — CID 672352

IUPACpyrrolidin-1-yl(thiophen-2-yl)methanethione
SMILESS=C(c1cccs1)N1CCCC1
InChIInChI=1S/C9H11NS2/c11-9(8-4-3-7-12-8)10-5-1-2-6-10/h3-4,7H,1-2,5-6H2
InChIKeyGRKPGDNGSVJNGU-UHFFFAOYSA-N
MW197.33 g/mol
LogP2.52
Rot. Bonds1

About pyrrolidin-1-yl(thiophen-2-yl)methanethione

pyrrolidin-1-yl(thiophen-2-yl)methanethione (PubChem CID 672352) has the molecular formula C9H11NS2 and a molecular weight of 197.33 g/mol. Its IUPAC name is pyrrolidin-1-yl(thiophen-2-yl)methanethione.

Molecular Properties

Compound Namepyrrolidin-1-yl(thiophen-2-yl)methanethione
PubChem CID672352
Molecular FormulaC9H11NS2
Molecular Weight197.33 g/mol
Exact Mass197.03
IUPAC Namepyrrolidin-1-yl(thiophen-2-yl)methanethione
SMILESS=C(c1cccs1)N1CCCC1
InChIInChI=1S/C9H11NS2/c11-9(8-4-3-7-12-8)10-5-1-2-6-10/h3-4,7H,1-2,5-6H2
InChIKeyGRKPGDNGSVJNGU-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 52.52
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 pyrrolidin-1-yl(thiophen-2-yl)methanethione?
The IUPAC name of pyrrolidin-1-yl(thiophen-2-yl)methanethione (CID 672352) is pyrrolidin-1-yl(thiophen-2-yl)methanethione.
What is the SMILES notation for pyrrolidin-1-yl(thiophen-2-yl)methanethione?
The canonical SMILES for pyrrolidin-1-yl(thiophen-2-yl)methanethione is S=C(c1cccs1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl(thiophen-2-yl)methanethione?
The InChIKey is GRKPGDNGSVJNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS2/c11-9(8-4-3-7-12-8)10-5-1-2-6-10/h3-4,7H,1-2,5-6H2.
What are the key properties of pyrrolidin-1-yl(thiophen-2-yl)methanethione?
pyrrolidin-1-yl(thiophen-2-yl)methanethione has a molecular weight of 197.33 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl(thiophen-2-yl)methanethione is sourced from PubChem (CID 672352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).