6-phenyl-1H-pyrimidine-2,4-dithione

C10H8N2S2 — CID 831515

IUPAC6-phenyl-1H-pyrimidine-2,4-dithione
SMILESS=c1cc(-c2ccccc2)[nH]c(=S)[nH]1
InChIInChI=1S/C10H8N2S2/c13-9-6-8(11-10(14)12-9)7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)
InChIKeyVBZZPISRUWBGKZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.47
Rot. Bonds1

About 6-phenyl-1H-pyrimidine-2,4-dithione

6-phenyl-1H-pyrimidine-2,4-dithione (PubChem CID 831515) has the molecular formula C10H8N2S2 and a molecular weight of 220.32 g/mol. Its IUPAC name is 6-phenyl-1H-pyrimidine-2,4-dithione.

Molecular Properties

Compound Name6-phenyl-1H-pyrimidine-2,4-dithione
PubChem CID831515
Molecular FormulaC10H8N2S2
Molecular Weight220.32 g/mol
Exact Mass220.01
IUPAC Name6-phenyl-1H-pyrimidine-2,4-dithione
SMILESS=c1cc(-c2ccccc2)[nH]c(=S)[nH]1
InChIInChI=1S/C10H8N2S2/c13-9-6-8(11-10(14)12-9)7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)
InChIKeyVBZZPISRUWBGKZ-UHFFFAOYSA-N
XLogP3.47
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1H-pyrimidine-2,4-dithione?
The IUPAC name of 6-phenyl-1H-pyrimidine-2,4-dithione (CID 831515) is 6-phenyl-1H-pyrimidine-2,4-dithione.
What is the SMILES notation for 6-phenyl-1H-pyrimidine-2,4-dithione?
The canonical SMILES for 6-phenyl-1H-pyrimidine-2,4-dithione is S=c1cc(-c2ccccc2)[nH]c(=S)[nH]1.
What is the InChIKey of 6-phenyl-1H-pyrimidine-2,4-dithione?
The InChIKey is VBZZPISRUWBGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2S2/c13-9-6-8(11-10(14)12-9)7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14).
What are the key properties of 6-phenyl-1H-pyrimidine-2,4-dithione?
6-phenyl-1H-pyrimidine-2,4-dithione has a molecular weight of 220.32 g/mol, XLogP of 3.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1H-pyrimidine-2,4-dithione is sourced from PubChem (CID 831515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).