2-(thiolan-2-yl)-1H-pyrimidine-6-thione

C8H10N2S2 — CID 106476527

IUPAC2-(thiolan-2-yl)-1H-pyrimidine-6-thione
SMILESS=c1ccnc(C2CCCS2)[nH]1
InChIInChI=1S/C8H10N2S2/c11-7-3-4-9-8(10-7)6-2-1-5-12-6/h3-4,6H,1-2,5H2,(H,9,10,11)
InChIKeyYWZHZLITBHDQFO-UHFFFAOYSA-N
MW198.32 g/mol
LogP2.71
Rot. Bonds1

About 2-(thiolan-2-yl)-1H-pyrimidine-6-thione

2-(thiolan-2-yl)-1H-pyrimidine-6-thione (PubChem CID 106476527) has the molecular formula C8H10N2S2 and a molecular weight of 198.32 g/mol. Its IUPAC name is 2-(thiolan-2-yl)-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name2-(thiolan-2-yl)-1H-pyrimidine-6-thione
PubChem CID106476527
Molecular FormulaC8H10N2S2
Molecular Weight198.32 g/mol
Exact Mass198.03
IUPAC Name2-(thiolan-2-yl)-1H-pyrimidine-6-thione
SMILESS=c1ccnc(C2CCCS2)[nH]1
InChIInChI=1S/C8H10N2S2/c11-7-3-4-9-8(10-7)6-2-1-5-12-6/h3-4,6H,1-2,5H2,(H,9,10,11)
InChIKeyYWZHZLITBHDQFO-UHFFFAOYSA-N
XLogP2.71
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(thiolan-2-yl)-1H-pyrimidine-6-thione?
The IUPAC name of 2-(thiolan-2-yl)-1H-pyrimidine-6-thione (CID 106476527) is 2-(thiolan-2-yl)-1H-pyrimidine-6-thione.
What is the SMILES notation for 2-(thiolan-2-yl)-1H-pyrimidine-6-thione?
The canonical SMILES for 2-(thiolan-2-yl)-1H-pyrimidine-6-thione is S=c1ccnc(C2CCCS2)[nH]1.
What is the InChIKey of 2-(thiolan-2-yl)-1H-pyrimidine-6-thione?
The InChIKey is YWZHZLITBHDQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S2/c11-7-3-4-9-8(10-7)6-2-1-5-12-6/h3-4,6H,1-2,5H2,(H,9,10,11).
What are the key properties of 2-(thiolan-2-yl)-1H-pyrimidine-6-thione?
2-(thiolan-2-yl)-1H-pyrimidine-6-thione has a molecular weight of 198.32 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-2-yl)-1H-pyrimidine-6-thione is sourced from PubChem (CID 106476527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).