4H-1,3-benzothiazol-4-ide;vanadium

C7H4NSV- — CID 58775371

IUPAC4H-1,3-benzothiazol-4-ide;vanadium
SMILES[V].[c-]1cccc2scnc12
InChIInChI=1S/C7H4NS.V/c1-2-4-7-6(3-1)8-5-9-7;/h1-2,4-5H;/q-1;
InChIKeyGRXYLSMYGRRHCJ-UHFFFAOYSA-N
MW185.13 g/mol
LogP2.09
Rot. Bonds

About 4H-1,3-benzothiazol-4-ide;vanadium

4H-1,3-benzothiazol-4-ide;vanadium (PubChem CID 58775371) has the molecular formula C7H4NSV- and a molecular weight of 185.13 g/mol. Its IUPAC name is 4H-1,3-benzothiazol-4-ide;vanadium.

Molecular Properties

Compound Name4H-1,3-benzothiazol-4-ide;vanadium
PubChem CID58775371
Molecular FormulaC7H4NSV-
Molecular Weight185.13 g/mol
Exact Mass184.95
IUPAC Name4H-1,3-benzothiazol-4-ide;vanadium
SMILES[V].[c-]1cccc2scnc12
InChIInChI=1S/C7H4NS.V/c1-2-4-7-6(3-1)8-5-9-7;/h1-2,4-5H;/q-1;
InChIKeyGRXYLSMYGRRHCJ-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 ≤ 500185.13
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

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
(5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole
CID 142875397
(4E)-5-methylidene-4-prop-2-enylidene-1,3-thiazole
CID 144460562
4H-1,3-benzothiazol-4-ide;carbanide;vanadium(2+)
CID 153553384
7H-1,3-benzothiazol-7-ide;yttrium
CID 170523142
(3aE,9Z)-cycloocta[d][1,3]thiazole
CID 173684982

Frequently Asked Questions

What is the IUPAC name of 4H-1,3-benzothiazol-4-ide;vanadium?
The IUPAC name of 4H-1,3-benzothiazol-4-ide;vanadium (CID 58775371) is 4H-1,3-benzothiazol-4-ide;vanadium.
What is the SMILES notation for 4H-1,3-benzothiazol-4-ide;vanadium?
The canonical SMILES for 4H-1,3-benzothiazol-4-ide;vanadium is [V].[c-]1cccc2scnc12.
What is the InChIKey of 4H-1,3-benzothiazol-4-ide;vanadium?
The InChIKey is GRXYLSMYGRRHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4NS.V/c1-2-4-7-6(3-1)8-5-9-7;/h1-2,4-5H;/q-1;.
What are the key properties of 4H-1,3-benzothiazol-4-ide;vanadium?
4H-1,3-benzothiazol-4-ide;vanadium has a molecular weight of 185.13 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 4H-1,3-benzothiazol-4-ide;vanadium is sourced from PubChem (CID 58775371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).