[2-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-1-methoxybut-3-enylidene]tungsten

C12H12O5S2W — CID 11411026

IUPAC[2-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-1-methoxybut-3-enylidene]tungsten
SMILESC=CC(C(=[W])OC)=C1SC(C(=O)OC)=C(C(=O)OC)S1
InChIInChI=1S/C12H12O5S2.W/c1-5-7(6-15-2)12-18-8(10(13)16-3)9(19-12)11(14)17-4;/h5H,1H2,2-4H3;
InChIKeyCHCWZYSICSRCII-UHFFFAOYSA-N
MW484.20 g/mol
LogP1.74
Rot. Bonds5

About [2-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-1-methoxybut-3-enylidene]tungsten

[2-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-1-methoxybut-3-enylidene]tungsten (PubChem CID 11411026) has the molecular formula C12H12O5S2W and a molecular weight of 484.20 g/mol. Its IUPAC name is [2-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-1-methoxybut-3-enylidene]tungsten.

Molecular Properties

Compound Name[2-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-1-methoxybut-3-enylidene]tungsten
PubChem CID11411026
Molecular FormulaC12H12O5S2W
Molecular Weight484.20 g/mol
Exact Mass483.96
IUPAC Name[2-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-1-methoxybut-3-enylidene]tungsten
SMILESC=CC(C(=[W])OC)=C1SC(C(=O)OC)=C(C(=O)OC)S1
InChIInChI=1S/C12H12O5S2.W/c1-5-7(6-15-2)12-18-8(10(13)16-3)9(19-12)11(14)17-4;/h5H,1H2,2-4H3;
InChIKeyCHCWZYSICSRCII-UHFFFAOYSA-N
XLogP1.74
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.20
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[4,5-Bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-1-methoxybut-3-enylidene]tungsten;carbon monoxide
CID 11411025
Dimethyl 2-thiopyran-4-ylidene-1,3-dithiole-4,5-dicarboxylate
CID 12381509
Dimethyl 2-selenopyran-4-ylidene-1,3-dithiole-4,5-dicarboxylate
CID 14091568
Dimethyl 2-pyran-4-ylidene-1,3-dithiole-4,5-dicarboxylate
CID 101577777

Frequently Asked Questions

What is the IUPAC name of [2-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-1-methoxybut-3-enylidene]tungsten?
The IUPAC name of [2-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-1-methoxybut-3-enylidene]tungsten (CID 11411026) is [2-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-1-methoxybut-3-enylidene]tungsten.
What is the SMILES notation for [2-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-1-methoxybut-3-enylidene]tungsten?
The canonical SMILES for [2-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-1-methoxybut-3-enylidene]tungsten is C=CC(C(=[W])OC)=C1SC(C(=O)OC)=C(C(=O)OC)S1.
What is the InChIKey of [2-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-1-methoxybut-3-enylidene]tungsten?
The InChIKey is CHCWZYSICSRCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O5S2.W/c1-5-7(6-15-2)12-18-8(10(13)16-3)9(19-12)11(14)17-4;/h5H,1H2,2-4H3;.
What are the key properties of [2-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-1-methoxybut-3-enylidene]tungsten?
[2-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-1-methoxybut-3-enylidene]tungsten has a molecular weight of 484.20 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-1-methoxybut-3-enylidene]tungsten is sourced from PubChem (CID 11411026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).