propanethioamide;pyridine

C11H19N3S2 — CID 159661504

IUPACpropanethioamide;pyridine
SMILESCCC(N)=S.CCC(N)=S.c1ccncc1
InChIInChI=1S/C5H5N.2C3H7NS/c1-2-4-6-5-3-1;2*1-2-3(4)5/h1-5H;2*2H2,1H3,(H2,4,5)
InChIKeyMSWDMSPXCFVXTC-UHFFFAOYSA-N
MW257.43 g/mol
LogP2.45
Rot. Bonds2

About propanethioamide;pyridine

propanethioamide;pyridine (PubChem CID 159661504) has the molecular formula C11H19N3S2 and a molecular weight of 257.43 g/mol. Its IUPAC name is propanethioamide;pyridine.

Molecular Properties

Compound Namepropanethioamide;pyridine
PubChem CID159661504
Molecular FormulaC11H19N3S2
Molecular Weight257.43 g/mol
Exact Mass257.10
IUPAC Namepropanethioamide;pyridine
SMILESCCC(N)=S.CCC(N)=S.c1ccncc1
InChIInChI=1S/C5H5N.2C3H7NS/c1-2-4-6-5-3-1;2*1-2-3(4)5/h1-5H;2*2H2,1H3,(H2,4,5)
InChIKeyMSWDMSPXCFVXTC-UHFFFAOYSA-N
XLogP2.45
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.43
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 propanethioamide;pyridine?
The IUPAC name of propanethioamide;pyridine (CID 159661504) is propanethioamide;pyridine.
What is the SMILES notation for propanethioamide;pyridine?
The canonical SMILES for propanethioamide;pyridine is CCC(N)=S.CCC(N)=S.c1ccncc1.
What is the InChIKey of propanethioamide;pyridine?
The InChIKey is MSWDMSPXCFVXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.2C3H7NS/c1-2-4-6-5-3-1;2*1-2-3(4)5/h1-5H;2*2H2,1H3,(H2,4,5).
What are the key properties of propanethioamide;pyridine?
propanethioamide;pyridine has a molecular weight of 257.43 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propanethioamide;pyridine is sourced from PubChem (CID 159661504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).