6-methyl-3,5-dihydro-1H-benzimidazol-5-ide-2-thione;yttrium

C8H7N2SY- — CID 58930434

IUPAC6-methyl-3,5-dihydro-1H-benzimidazol-5-ide-2-thione;yttrium
SMILESCc1[c-]cc2[nH]c(=S)[nH]c2c1.[Y]
InChIInChI=1S/C8H7N2S.Y/c1-5-2-3-6-7(4-5)10-8(11)9-6;/h3-4H,1H3,(H2,9,10,11);/q-1;
InChIKeyXSUMPOWPYJIGMP-UHFFFAOYSA-N
MW252.13 g/mol
LogP2.33
Rot. Bonds

About 6-methyl-3,5-dihydro-1H-benzimidazol-5-ide-2-thione;yttrium

6-methyl-3,5-dihydro-1H-benzimidazol-5-ide-2-thione;yttrium (PubChem CID 58930434) has the molecular formula C8H7N2SY- and a molecular weight of 252.13 g/mol. Its IUPAC name is 6-methyl-3,5-dihydro-1H-benzimidazol-5-ide-2-thione;yttrium.

Molecular Properties

Compound Name6-methyl-3,5-dihydro-1H-benzimidazol-5-ide-2-thione;yttrium
PubChem CID58930434
Molecular FormulaC8H7N2SY-
Molecular Weight252.13 g/mol
Exact Mass251.94
IUPAC Name6-methyl-3,5-dihydro-1H-benzimidazol-5-ide-2-thione;yttrium
SMILESCc1[c-]cc2[nH]c(=S)[nH]c2c1.[Y]
InChIInChI=1S/C8H7N2S.Y/c1-5-2-3-6-7(4-5)10-8(11)9-6;/h3-4H,1H3,(H2,9,10,11);/q-1;
InChIKeyXSUMPOWPYJIGMP-UHFFFAOYSA-N
XLogP2.33
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.13
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,5-dihydro-1H-benzimidazol-5-ide-2-thione;yttrium?
The IUPAC name of 6-methyl-3,5-dihydro-1H-benzimidazol-5-ide-2-thione;yttrium (CID 58930434) is 6-methyl-3,5-dihydro-1H-benzimidazol-5-ide-2-thione;yttrium.
What is the SMILES notation for 6-methyl-3,5-dihydro-1H-benzimidazol-5-ide-2-thione;yttrium?
The canonical SMILES for 6-methyl-3,5-dihydro-1H-benzimidazol-5-ide-2-thione;yttrium is Cc1[c-]cc2[nH]c(=S)[nH]c2c1.[Y].
What is the InChIKey of 6-methyl-3,5-dihydro-1H-benzimidazol-5-ide-2-thione;yttrium?
The InChIKey is XSUMPOWPYJIGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N2S.Y/c1-5-2-3-6-7(4-5)10-8(11)9-6;/h3-4H,1H3,(H2,9,10,11);/q-1;.
What are the key properties of 6-methyl-3,5-dihydro-1H-benzimidazol-5-ide-2-thione;yttrium?
6-methyl-3,5-dihydro-1H-benzimidazol-5-ide-2-thione;yttrium has a molecular weight of 252.13 g/mol, XLogP of 2.33, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,5-dihydro-1H-benzimidazol-5-ide-2-thione;yttrium is sourced from PubChem (CID 58930434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).