3-methyl-7H-1,2-benzothiazol-7-ide;yttrium

C8H6NSY- — CID 58110819

IUPAC3-methyl-7H-1,2-benzothiazol-7-ide;yttrium
SMILESCc1nsc2[c-]cccc12.[Y]
InChIInChI=1S/C8H6NS.Y/c1-6-7-4-2-3-5-8(7)10-9-6;/h2-4H,1H3;/q-1;
InChIKeyWSAUOQMBGVXPIS-UHFFFAOYSA-N
MW237.12 g/mol
LogP2.40
Rot. Bonds

About 3-methyl-7H-1,2-benzothiazol-7-ide;yttrium

3-methyl-7H-1,2-benzothiazol-7-ide;yttrium (PubChem CID 58110819) has the molecular formula C8H6NSY- and a molecular weight of 237.12 g/mol. Its IUPAC name is 3-methyl-7H-1,2-benzothiazol-7-ide;yttrium.

Molecular Properties

Compound Name3-methyl-7H-1,2-benzothiazol-7-ide;yttrium
PubChem CID58110819
Molecular FormulaC8H6NSY-
Molecular Weight237.12 g/mol
Exact Mass236.93
IUPAC Name3-methyl-7H-1,2-benzothiazol-7-ide;yttrium
SMILESCc1nsc2[c-]cccc12.[Y]
InChIInChI=1S/C8H6NS.Y/c1-6-7-4-2-3-5-8(7)10-9-6;/h2-4H,1H3;/q-1;
InChIKeyWSAUOQMBGVXPIS-UHFFFAOYSA-N
XLogP2.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.12
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-Phenylethylideneazanide;yttrium
CID 59868263
10-Methyl-[1,2,3]benzodithiazolo[7,6-g][1,2,3]benzodithiazole
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3-Methyl-2,1-benzothiazole 2-oxide
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7H-1,2-benzothiazol-7-ide;yttrium?
The IUPAC name of 3-methyl-7H-1,2-benzothiazol-7-ide;yttrium (CID 58110819) is 3-methyl-7H-1,2-benzothiazol-7-ide;yttrium.
What is the SMILES notation for 3-methyl-7H-1,2-benzothiazol-7-ide;yttrium?
The canonical SMILES for 3-methyl-7H-1,2-benzothiazol-7-ide;yttrium is Cc1nsc2[c-]cccc12.[Y].
What is the InChIKey of 3-methyl-7H-1,2-benzothiazol-7-ide;yttrium?
The InChIKey is WSAUOQMBGVXPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6NS.Y/c1-6-7-4-2-3-5-8(7)10-9-6;/h2-4H,1H3;/q-1;.
What are the key properties of 3-methyl-7H-1,2-benzothiazol-7-ide;yttrium?
3-methyl-7H-1,2-benzothiazol-7-ide;yttrium has a molecular weight of 237.12 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7H-1,2-benzothiazol-7-ide;yttrium is sourced from PubChem (CID 58110819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).