4-phenyl-1,3-dihydropyrrole-2-thione

C10H9NS — CID 141443315

IUPAC4-phenyl-1,3-dihydropyrrole-2-thione
SMILESS=C1CC(c2ccccc2)=CN1
InChIInChI=1S/C10H9NS/c12-10-6-9(7-11-10)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,11,12)
InChIKeyYJHNFNZNARFLKW-UHFFFAOYSA-N
MW175.26 g/mol
LogP2.35
Rot. Bonds1

About 4-phenyl-1,3-dihydropyrrole-2-thione

4-phenyl-1,3-dihydropyrrole-2-thione (PubChem CID 141443315) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is 4-phenyl-1,3-dihydropyrrole-2-thione.

Molecular Properties

Compound Name4-phenyl-1,3-dihydropyrrole-2-thione
PubChem CID141443315
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name4-phenyl-1,3-dihydropyrrole-2-thione
SMILESS=C1CC(c2ccccc2)=CN1
InChIInChI=1S/C10H9NS/c12-10-6-9(7-11-10)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,11,12)
InChIKeyYJHNFNZNARFLKW-UHFFFAOYSA-N
XLogP2.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 52.35
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

4-methyl-1,3-dihydropyrrole-2-thione
CID 143697998
1-methyl-4-phenyl-3H-pyrrole-2-thione
CID 59151237
(2S)-4-phenyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid
CID 13387957
benzene;tris(1,1'-biphenyl)
CID 162155747
4-(4-phenylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid
CID 169091419
1,1'-biphenyl;sulfanylidenephosphanium
CID 161040824
1,1'-biphenyl;cycloheptane
CID 174877368
4-phenyl-3,6-dihydropyridazine
CID 142779383
(6S)-3-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-8-thione
CID 54276033
1,1'-biphenyl;hydrofluoride
CID 67516975
1,1'-biphenyl;mercury
CID 67099988
bis(1,1'-biphenyl);sulfane
CID 22247507

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,3-dihydropyrrole-2-thione?
The IUPAC name of 4-phenyl-1,3-dihydropyrrole-2-thione (CID 141443315) is 4-phenyl-1,3-dihydropyrrole-2-thione.
What is the SMILES notation for 4-phenyl-1,3-dihydropyrrole-2-thione?
The canonical SMILES for 4-phenyl-1,3-dihydropyrrole-2-thione is S=C1CC(c2ccccc2)=CN1.
What is the InChIKey of 4-phenyl-1,3-dihydropyrrole-2-thione?
The InChIKey is YJHNFNZNARFLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS/c12-10-6-9(7-11-10)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,11,12).
What are the key properties of 4-phenyl-1,3-dihydropyrrole-2-thione?
4-phenyl-1,3-dihydropyrrole-2-thione has a molecular weight of 175.26 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,3-dihydropyrrole-2-thione is sourced from PubChem (CID 141443315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).