(2R)-2-methyl-5-phenyl-2,3-dihydro-1H-pyridine-6-thione

C12H13NS — CID 7707260

IUPAC(2R)-2-methyl-5-phenyl-2,3-dihydro-1H-pyridine-6-thione
SMILESC[C@@H]1CC=C(c2ccccc2)C(=S)N1
InChIInChI=1S/C12H13NS/c1-9-7-8-11(12(14)13-9)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyUJEYHIWKFIXAEE-SECBINFHSA-N
MW203.31 g/mol
LogP2.78
Rot. Bonds1

About (2R)-2-methyl-5-phenyl-2,3-dihydro-1H-pyridine-6-thione

(2R)-2-methyl-5-phenyl-2,3-dihydro-1H-pyridine-6-thione (PubChem CID 7707260) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is (2R)-2-methyl-5-phenyl-2,3-dihydro-1H-pyridine-6-thione.

Molecular Properties

Compound Name(2R)-2-methyl-5-phenyl-2,3-dihydro-1H-pyridine-6-thione
PubChem CID7707260
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name(2R)-2-methyl-5-phenyl-2,3-dihydro-1H-pyridine-6-thione
SMILESC[C@@H]1CC=C(c2ccccc2)C(=S)N1
InChIInChI=1S/C12H13NS/c1-9-7-8-11(12(14)13-9)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyUJEYHIWKFIXAEE-SECBINFHSA-N
XLogP2.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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3-methyl-3,4-dihydro-2H-1,4-benzothiazepine-5-thione
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CID 101213352
(2S)-2-methyl-5-propan-2-yl-2,3-dihydro-1H-pyrrole
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4-methyl-5-phenyl-3,4-dihydro-2H-phosphole
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(1R,5R)-2,6-diphenylbicyclo[3.3.2]deca-2,6-diene
CID 102399204
4,9,9-trimethyl-1-phenyl-3,4-dihydrofluorene;hydroiodide
CID 164529221
1,1'-biphenyl;2-methyloxirane
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CID 59151237

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-5-phenyl-2,3-dihydro-1H-pyridine-6-thione?
The IUPAC name of (2R)-2-methyl-5-phenyl-2,3-dihydro-1H-pyridine-6-thione (CID 7707260) is (2R)-2-methyl-5-phenyl-2,3-dihydro-1H-pyridine-6-thione.
What is the SMILES notation for (2R)-2-methyl-5-phenyl-2,3-dihydro-1H-pyridine-6-thione?
The canonical SMILES for (2R)-2-methyl-5-phenyl-2,3-dihydro-1H-pyridine-6-thione is C[C@@H]1CC=C(c2ccccc2)C(=S)N1.
What is the InChIKey of (2R)-2-methyl-5-phenyl-2,3-dihydro-1H-pyridine-6-thione?
The InChIKey is UJEYHIWKFIXAEE-SECBINFHSA-N. The full InChI is InChI=1S/C12H13NS/c1-9-7-8-11(12(14)13-9)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,13,14)/t9-/m1/s1.
What are the key properties of (2R)-2-methyl-5-phenyl-2,3-dihydro-1H-pyridine-6-thione?
(2R)-2-methyl-5-phenyl-2,3-dihydro-1H-pyridine-6-thione has a molecular weight of 203.31 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-5-phenyl-2,3-dihydro-1H-pyridine-6-thione is sourced from PubChem (CID 7707260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).