4-(2,3-dimethylbutan-2-yl)pyridine;methanethioamide

C12H20N2S — CID 142225906

IUPAC4-(2,3-dimethylbutan-2-yl)pyridine;methanethioamide
SMILESCC(C)C(C)(C)c1ccncc1.NC=S
InChIInChI=1S/C11H17N.CH3NS/c1-9(2)11(3,4)10-5-7-12-8-6-10;2-1-3/h5-9H,1-4H3;1H,(H2,2,3)
InChIKeyYQNWIHLIESMFPA-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.92
Rot. Bonds2

About 4-(2,3-dimethylbutan-2-yl)pyridine;methanethioamide

4-(2,3-dimethylbutan-2-yl)pyridine;methanethioamide (PubChem CID 142225906) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 4-(2,3-dimethylbutan-2-yl)pyridine;methanethioamide.

Molecular Properties

Compound Name4-(2,3-dimethylbutan-2-yl)pyridine;methanethioamide
PubChem CID142225906
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name4-(2,3-dimethylbutan-2-yl)pyridine;methanethioamide
SMILESCC(C)C(C)(C)c1ccncc1.NC=S
InChIInChI=1S/C11H17N.CH3NS/c1-9(2)11(3,4)10-5-7-12-8-6-10;2-1-3/h5-9H,1-4H3;1H,(H2,2,3)
InChIKeyYQNWIHLIESMFPA-UHFFFAOYSA-N
XLogP2.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.92
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

1-tert-butyl-4-(2,3-dimethylbutan-2-yl)benzene;ethane
CID 145287481
tetrakis(4-tert-butylpyridine);bis(molybdenum(2+));tetrachloride
CID 139134561
4-(2-pyridin-4-ylpropan-2-yl)pyridine
CID 20584229
4-(1,1-dimethoxy-2-methylpropyl)pyridine
CID 10888830
1-(2,3-dimethylbutan-2-yl)-4-methylbenzene;ethane
CID 142109558
(1S)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine
CID 94424618
4-(1,1-diiodoethyl)pyridine
CID 174356273
(1R)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine;hydrochloride
CID 171246376
4-tert-butylpyridine;formic acid
CID 174881162
2-amino-2-pyridin-4-ylpropanoic acid;hydrochloride
CID 146014247
1,1-difluoro-2-methyl-1-pyridin-4-ylpropan-2-amine
CID 116839462
tris(4-tert-butylpyridine);tribromoiridium
CID 58163024

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylbutan-2-yl)pyridine;methanethioamide?
The IUPAC name of 4-(2,3-dimethylbutan-2-yl)pyridine;methanethioamide (CID 142225906) is 4-(2,3-dimethylbutan-2-yl)pyridine;methanethioamide.
What is the SMILES notation for 4-(2,3-dimethylbutan-2-yl)pyridine;methanethioamide?
The canonical SMILES for 4-(2,3-dimethylbutan-2-yl)pyridine;methanethioamide is CC(C)C(C)(C)c1ccncc1.NC=S.
What is the InChIKey of 4-(2,3-dimethylbutan-2-yl)pyridine;methanethioamide?
The InChIKey is YQNWIHLIESMFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.CH3NS/c1-9(2)11(3,4)10-5-7-12-8-6-10;2-1-3/h5-9H,1-4H3;1H,(H2,2,3).
What are the key properties of 4-(2,3-dimethylbutan-2-yl)pyridine;methanethioamide?
4-(2,3-dimethylbutan-2-yl)pyridine;methanethioamide has a molecular weight of 224.37 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylbutan-2-yl)pyridine;methanethioamide is sourced from PubChem (CID 142225906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).