molecular hydrogen;N-pyridin-3-ylethanethioamide

C7H10N2S — CID 143306027

IUPACmolecular hydrogen;N-pyridin-3-ylethanethioamide
SMILESCC(=S)Nc1cccnc1.[H][H]
InChIInChI=1S/C7H8N2S.H2/c1-6(10)9-7-3-2-4-8-5-7;/h2-5H,1H3,(H,9,10);1H
InChIKeyNKZPTGJVMAOAMA-UHFFFAOYSA-N
MW154.24 g/mol
LogP2.09
Rot. Bonds1

About molecular hydrogen;N-pyridin-3-ylethanethioamide

molecular hydrogen;N-pyridin-3-ylethanethioamide (PubChem CID 143306027) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is molecular hydrogen;N-pyridin-3-ylethanethioamide.

Molecular Properties

Compound Namemolecular hydrogen;N-pyridin-3-ylethanethioamide
PubChem CID143306027
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Namemolecular hydrogen;N-pyridin-3-ylethanethioamide
SMILESCC(=S)Nc1cccnc1.[H][H]
InChIInChI=1S/C7H8N2S.H2/c1-6(10)9-7-3-2-4-8-5-7;/h2-5H,1H3,(H,9,10);1H
InChIKeyNKZPTGJVMAOAMA-UHFFFAOYSA-N
XLogP2.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

pyridin-3-ylthiourea
CID 2760515
N-(3-methylbut-2-en-2-yl)pyridin-3-amine
CID 58929048
1,1-diethyl-3-pyridin-3-ylthiourea
CID 60640914
1-prop-2-ynyl-3-pyridin-3-ylthiourea
CID 130744162
N-pyridin-3-ylcyclopentanecarbothioamide
CID 88634071
O-phenyl N-pyridin-3-ylcarbamothioate
CID 125499505
1-(2-hydroxyethyl)-3-pyridin-3-ylthiourea
CID 21497182
N-(4-acetylphenyl)-N'-pyridin-3-yloxamide
CID 108514790
trans-(1R,2R)-2-methyl-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 131159605
molecular hydrogen;1-(pyridin-3-ylamino)ethanethiol
CID 143056439
3-methyl-N-pyridin-3-ylpentanamide;molecular hydrogen
CID 166133137
4,5-dimethyl-N-pyridin-3-ylpyridine-3-carboxamide;molecular hydrogen
CID 144555172

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-pyridin-3-ylethanethioamide?
The IUPAC name of molecular hydrogen;N-pyridin-3-ylethanethioamide (CID 143306027) is molecular hydrogen;N-pyridin-3-ylethanethioamide.
What is the SMILES notation for molecular hydrogen;N-pyridin-3-ylethanethioamide?
The canonical SMILES for molecular hydrogen;N-pyridin-3-ylethanethioamide is CC(=S)Nc1cccnc1.[H][H].
What is the InChIKey of molecular hydrogen;N-pyridin-3-ylethanethioamide?
The InChIKey is NKZPTGJVMAOAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S.H2/c1-6(10)9-7-3-2-4-8-5-7;/h2-5H,1H3,(H,9,10);1H.
What are the key properties of molecular hydrogen;N-pyridin-3-ylethanethioamide?
molecular hydrogen;N-pyridin-3-ylethanethioamide has a molecular weight of 154.24 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-pyridin-3-ylethanethioamide is sourced from PubChem (CID 143306027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).