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

C7H4NSY- — CID 170523142

IUPAC7H-1,3-benzothiazol-7-ide;yttrium
SMILES[Y].[c-]1cccc2ncsc12
InChIInChI=1S/C7H4NS.Y/c1-2-4-7-6(3-1)8-5-9-7;/h1-3,5H;/q-1;
InChIKeyLTPROGCKGBCKOH-UHFFFAOYSA-N
MW223.09 g/mol
LogP2.09
Rot. Bonds

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

7H-1,3-benzothiazol-7-ide;yttrium (PubChem CID 170523142) has the molecular formula C7H4NSY- and a molecular weight of 223.09 g/mol. Its IUPAC name is 7H-1,3-benzothiazol-7-ide;yttrium.

Molecular Properties

Compound Name7H-1,3-benzothiazol-7-ide;yttrium
PubChem CID170523142
Molecular FormulaC7H4NSY-
Molecular Weight223.09 g/mol
Exact Mass222.91
IUPAC Name7H-1,3-benzothiazol-7-ide;yttrium
SMILES[Y].[c-]1cccc2ncsc12
InChIInChI=1S/C7H4NS.Y/c1-2-4-7-6(3-1)8-5-9-7;/h1-3,5H;/q-1;
InChIKeyLTPROGCKGBCKOH-UHFFFAOYSA-N
XLogP2.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.09
LogP ≤ 52.09
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

4H-1,3-benzothiazol-4-ide;vanadium
CID 58775371
7H-1,3-benzothiazol-7-ide;vanadium
CID 58775540
[(Z)-3-(5H-1,3-thiazol-5-id-4-yl)prop-2-enylidene]tungsten;tungsten
CID 59651851
5-Ethylidene-4-prop-2-enylidene-1,3-thiazole
CID 123457592
(4E,5E)-5-ethylidene-4-prop-2-enylidene-1,3-thiazole
CID 124173797
(4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-thiazole
CID 138519855
(4E,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-1,3-thiazole
CID 142260644
3lambda3-Ioda-7-thia-9-azabicyclo[4.3.0]nona-1,3,5,8-tetraene
CID 142698141
3lambda3-Ioda-9-thia-7-azabicyclo[4.3.0]nona-1,3,5,7-tetraene
CID 142698142
ethane;(5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole
CID 142875396
(5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole
CID 142875397
(4E,5E)-4-[(Z)-but-2-enylidene]-5-prop-2-enylidene-1,3-thiazole
CID 143246959

Frequently Asked Questions

What is the IUPAC name of 7H-1,3-benzothiazol-7-ide;yttrium?
The IUPAC name of 7H-1,3-benzothiazol-7-ide;yttrium (CID 170523142) is 7H-1,3-benzothiazol-7-ide;yttrium.
What is the SMILES notation for 7H-1,3-benzothiazol-7-ide;yttrium?
The canonical SMILES for 7H-1,3-benzothiazol-7-ide;yttrium is [Y].[c-]1cccc2ncsc12.
What is the InChIKey of 7H-1,3-benzothiazol-7-ide;yttrium?
The InChIKey is LTPROGCKGBCKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4NS.Y/c1-2-4-7-6(3-1)8-5-9-7;/h1-3,5H;/q-1;.
What are the key properties of 7H-1,3-benzothiazol-7-ide;yttrium?
7H-1,3-benzothiazol-7-ide;yttrium has a molecular weight of 223.09 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-1,3-benzothiazol-7-ide;yttrium is sourced from PubChem (CID 170523142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).