chloro-[1-(4-methylphenyl)-2-sulfanylideneethylidene]tungsten

C9H8ClSW — CID 11146465

IUPACchloro-[1-(4-methylphenyl)-2-sulfanylideneethylidene]tungsten
SMILESCc1ccc(/C(C=S)=[W]\Cl)cc1
InChIInChI=1S/C9H8S.ClH.W/c1-8-2-4-9(5-3-8)6-7-10;;/h2-5,7H,1H3;1H;/q;;+1/p-1
InChIKeyLGJFJVLPRZBAJH-UHFFFAOYSA-M
MW367.52 g/mol
LogP2.75
Rot. Bonds2

About chloro-[1-(4-methylphenyl)-2-sulfanylideneethylidene]tungsten

chloro-[1-(4-methylphenyl)-2-sulfanylideneethylidene]tungsten (PubChem CID 11146465) has the molecular formula C9H8ClSW and a molecular weight of 367.52 g/mol. Its IUPAC name is chloro-[1-(4-methylphenyl)-2-sulfanylideneethylidene]tungsten.

Molecular Properties

Compound Namechloro-[1-(4-methylphenyl)-2-sulfanylideneethylidene]tungsten
PubChem CID11146465
Molecular FormulaC9H8ClSW
Molecular Weight367.52 g/mol
Exact Mass366.95
IUPAC Namechloro-[1-(4-methylphenyl)-2-sulfanylideneethylidene]tungsten
SMILESCc1ccc(/C(C=S)=[W]\Cl)cc1
InChIInChI=1S/C9H8S.ClH.W/c1-8-2-4-9(5-3-8)6-7-10;;/h2-5,7H,1H3;1H;/q;;+1/p-1
InChIKeyLGJFJVLPRZBAJH-UHFFFAOYSA-M
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro-[1-(4-methylphenyl)-2-sulfanylideneethylidene]tungsten?
The IUPAC name of chloro-[1-(4-methylphenyl)-2-sulfanylideneethylidene]tungsten (CID 11146465) is chloro-[1-(4-methylphenyl)-2-sulfanylideneethylidene]tungsten.
What is the SMILES notation for chloro-[1-(4-methylphenyl)-2-sulfanylideneethylidene]tungsten?
The canonical SMILES for chloro-[1-(4-methylphenyl)-2-sulfanylideneethylidene]tungsten is Cc1ccc(/C(C=S)=[W]\Cl)cc1.
What is the InChIKey of chloro-[1-(4-methylphenyl)-2-sulfanylideneethylidene]tungsten?
The InChIKey is LGJFJVLPRZBAJH-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H8S.ClH.W/c1-8-2-4-9(5-3-8)6-7-10;;/h2-5,7H,1H3;1H;/q;;+1/p-1.
What are the key properties of chloro-[1-(4-methylphenyl)-2-sulfanylideneethylidene]tungsten?
chloro-[1-(4-methylphenyl)-2-sulfanylideneethylidene]tungsten has a molecular weight of 367.52 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[1-(4-methylphenyl)-2-sulfanylideneethylidene]tungsten is sourced from PubChem (CID 11146465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).