[(Z)-3-(5H-1,3-thiazol-5-id-4-yl)prop-2-enylidene]tungsten;tungsten

C6H4NSW4- — CID 59651851

IUPAC[(Z)-3-(5H-1,3-thiazol-5-id-4-yl)prop-2-enylidene]tungsten;tungsten
SMILES[W].[W].[W].[W]=C/C=C\c1[c-]scn1
InChIInChI=1S/C6H4NS.4W/c1-2-3-6-4-8-5-7-6;;;;/h1-3,5H;;;;/q-1;;;;/b3-2-;;;;
InChIKeyHYSPJKQMTMRBNB-RFTJRDPSSA-N
MW857.53 g/mol
LogP1.30
Rot. Bonds2

About [(Z)-3-(5H-1,3-thiazol-5-id-4-yl)prop-2-enylidene]tungsten;tungsten

[(Z)-3-(5H-1,3-thiazol-5-id-4-yl)prop-2-enylidene]tungsten;tungsten (PubChem CID 59651851) has the molecular formula C6H4NSW4- and a molecular weight of 857.53 g/mol. Its IUPAC name is [(Z)-3-(5H-1,3-thiazol-5-id-4-yl)prop-2-enylidene]tungsten;tungsten.

Molecular Properties

Compound Name[(Z)-3-(5H-1,3-thiazol-5-id-4-yl)prop-2-enylidene]tungsten;tungsten
PubChem CID59651851
Molecular FormulaC6H4NSW4-
Molecular Weight857.53 g/mol
Exact Mass857.81
IUPAC Name[(Z)-3-(5H-1,3-thiazol-5-id-4-yl)prop-2-enylidene]tungsten;tungsten
SMILES[W].[W].[W].[W]=C/C=C\c1[c-]scn1
InChIInChI=1S/C6H4NS.4W/c1-2-3-6-4-8-5-7-6;;;;/h1-3,5H;;;;/q-1;;;;/b3-2-;;;;
InChIKeyHYSPJKQMTMRBNB-RFTJRDPSSA-N
XLogP1.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500857.53
LogP ≤ 51.30
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
(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

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-(5H-1,3-thiazol-5-id-4-yl)prop-2-enylidene]tungsten;tungsten?
The IUPAC name of [(Z)-3-(5H-1,3-thiazol-5-id-4-yl)prop-2-enylidene]tungsten;tungsten (CID 59651851) is [(Z)-3-(5H-1,3-thiazol-5-id-4-yl)prop-2-enylidene]tungsten;tungsten.
What is the SMILES notation for [(Z)-3-(5H-1,3-thiazol-5-id-4-yl)prop-2-enylidene]tungsten;tungsten?
The canonical SMILES for [(Z)-3-(5H-1,3-thiazol-5-id-4-yl)prop-2-enylidene]tungsten;tungsten is [W].[W].[W].[W]=C/C=C\c1[c-]scn1.
What is the InChIKey of [(Z)-3-(5H-1,3-thiazol-5-id-4-yl)prop-2-enylidene]tungsten;tungsten?
The InChIKey is HYSPJKQMTMRBNB-RFTJRDPSSA-N. The full InChI is InChI=1S/C6H4NS.4W/c1-2-3-6-4-8-5-7-6;;;;/h1-3,5H;;;;/q-1;;;;/b3-2-;;;;.
What are the key properties of [(Z)-3-(5H-1,3-thiazol-5-id-4-yl)prop-2-enylidene]tungsten;tungsten?
[(Z)-3-(5H-1,3-thiazol-5-id-4-yl)prop-2-enylidene]tungsten;tungsten has a molecular weight of 857.53 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-(5H-1,3-thiazol-5-id-4-yl)prop-2-enylidene]tungsten;tungsten is sourced from PubChem (CID 59651851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).