1,3-dihydroperimidine-2-thione

C11H8N2S — CID 723643

IUPAC1,3-dihydroperimidine-2-thione
SMILESS=C1Nc2cccc3cccc(c23)N1
InChIInChI=1S/C11H8N2S/c14-11-12-8-5-1-3-7-4-2-6-9(13-11)10(7)8/h1-6H,(H2,12,13,14)
InChIKeyZASDGLJUXIVFDL-UHFFFAOYSA-N
MW200.27 g/mol
LogP2.96
Rot. Bonds

About 1,3-dihydroperimidine-2-thione

1,3-dihydroperimidine-2-thione (PubChem CID 723643) has the molecular formula C11H8N2S and a molecular weight of 200.27 g/mol. Its IUPAC name is 1,3-dihydroperimidine-2-thione.

Molecular Properties

Compound Name1,3-dihydroperimidine-2-thione
PubChem CID723643
Molecular FormulaC11H8N2S
Molecular Weight200.27 g/mol
Exact Mass200.04
IUPAC Name1,3-dihydroperimidine-2-thione
SMILESS=C1Nc2cccc3cccc(c23)N1
InChIInChI=1S/C11H8N2S/c14-11-12-8-5-1-3-7-4-2-6-9(13-11)10(7)8/h1-6H,(H2,12,13,14)
InChIKeyZASDGLJUXIVFDL-UHFFFAOYSA-N
XLogP2.96
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Alpha-Naphthylthiourea
CID 736366
2-Aminoperimidine
CID 112416
2,2-Dimethyl-2,3-dihydroperimidine
CID 72628
2(1H)-Pyrimidinethione, 3,4-dihydro-1-(alpha-naphthyl)-4,4,6-trimethyl-
CID 704287
Mls002608127
CID 4201092
2-p-Tolyl-2,3-dihydro-1H-perimidine
CID 727034
5H-phenanthridine-6-thione
CID 4329248
2-(3-methylphenyl)-2,3-dihydro-1H-perimidine
CID 761639
2-(4-fluorophenyl)-2,3-dihydro-1H-perimidine
CID 255084
1'H-spiro[cyclopentane-1,2'-quinazoline]-4'-thiol
CID 686361
1-methyl-1H-perimidin-2(3H)-one
CID 715306
1-(2-Naphthyl)-2-thiourea
CID 2829258

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroperimidine-2-thione?
The IUPAC name of 1,3-dihydroperimidine-2-thione (CID 723643) is 1,3-dihydroperimidine-2-thione.
What is the SMILES notation for 1,3-dihydroperimidine-2-thione?
The canonical SMILES for 1,3-dihydroperimidine-2-thione is S=C1Nc2cccc3cccc(c23)N1.
What is the InChIKey of 1,3-dihydroperimidine-2-thione?
The InChIKey is ZASDGLJUXIVFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S/c14-11-12-8-5-1-3-7-4-2-6-9(13-11)10(7)8/h1-6H,(H2,12,13,14).
What are the key properties of 1,3-dihydroperimidine-2-thione?
1,3-dihydroperimidine-2-thione has a molecular weight of 200.27 g/mol, XLogP of 2.96, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroperimidine-2-thione is sourced from PubChem (CID 723643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).