3-[1-(diethylamino)ethenyl]-1H-pyridine-2-thione

C11H16N2S — CID 170637436

IUPAC3-[1-(diethylamino)ethenyl]-1H-pyridine-2-thione
SMILESC=C(c1ccc[nH]c1=S)N(CC)CC
InChIInChI=1S/C11H16N2S/c1-4-13(5-2)9(3)10-7-6-8-12-11(10)14/h6-8H,3-5H2,1-2H3,(H,12,14)
InChIKeyXNAGXYABJUQPJH-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.06
Rot. Bonds4

About 3-[1-(diethylamino)ethenyl]-1H-pyridine-2-thione

3-[1-(diethylamino)ethenyl]-1H-pyridine-2-thione (PubChem CID 170637436) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 3-[1-(diethylamino)ethenyl]-1H-pyridine-2-thione.

Molecular Properties

Compound Name3-[1-(diethylamino)ethenyl]-1H-pyridine-2-thione
PubChem CID170637436
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name3-[1-(diethylamino)ethenyl]-1H-pyridine-2-thione
SMILESC=C(c1ccc[nH]c1=S)N(CC)CC
InChIInChI=1S/C11H16N2S/c1-4-13(5-2)9(3)10-7-6-8-12-11(10)14/h6-8H,3-5H2,1-2H3,(H,12,14)
InChIKeyXNAGXYABJUQPJH-UHFFFAOYSA-N
XLogP3.06
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.06
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

N-ethyl-2-sulfanyl-pyridine-3-carbothioamide
CID 3002836
N-propyl-2-sulfanyl-pyridine-3-carbothioamide
CID 3002824
4,6-Dimethyl-3-(aminomethyl)pyridine-2(1h)-thione
CID 12031211
5-amino-4-methyl-1H-pyridine-2-thione
CID 23016413
6-(1,2,3,6-tetrahydropyridin-5-yl)-1H-pyridine-2-thione
CID 57980551
5-[[methyl(propyl)amino]methyl]-1H-pyridine-2-thione
CID 59131802
1-[(1E,3E)-3-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]hexa-1,3,5-trienyl]-3-methylthiourea
CID 130413327
1-methyl-6H-pyrrolo[2,3-c]pyridine-5-thione
CID 141136079
Ethane;2-methyl-1,5-dihydropyrrolo[3,2-c]pyridine-6-thione
CID 141805882
3,4-dimethyl-1H-pyridine-2-thione;ethane
CID 144396149
ethane;3-ethenyl-1H-pyridine-2-thione
CID 144475865
6-[ethyl-[(2Z)-penta-2,4-dien-2-yl]amino]-3,4-dimethyl-1H-pyridine-2-thione
CID 144797875

Frequently Asked Questions

What is the IUPAC name of 3-[1-(diethylamino)ethenyl]-1H-pyridine-2-thione?
The IUPAC name of 3-[1-(diethylamino)ethenyl]-1H-pyridine-2-thione (CID 170637436) is 3-[1-(diethylamino)ethenyl]-1H-pyridine-2-thione.
What is the SMILES notation for 3-[1-(diethylamino)ethenyl]-1H-pyridine-2-thione?
The canonical SMILES for 3-[1-(diethylamino)ethenyl]-1H-pyridine-2-thione is C=C(c1ccc[nH]c1=S)N(CC)CC.
What is the InChIKey of 3-[1-(diethylamino)ethenyl]-1H-pyridine-2-thione?
The InChIKey is XNAGXYABJUQPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-4-13(5-2)9(3)10-7-6-8-12-11(10)14/h6-8H,3-5H2,1-2H3,(H,12,14).
What are the key properties of 3-[1-(diethylamino)ethenyl]-1H-pyridine-2-thione?
3-[1-(diethylamino)ethenyl]-1H-pyridine-2-thione has a molecular weight of 208.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(diethylamino)ethenyl]-1H-pyridine-2-thione is sourced from PubChem (CID 170637436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).