hex-1-en-3-ylidenetungsten;sulfanylmethylidenetungsten

C7H10SW2-2 — CID 59737786

IUPAChex-1-en-3-ylidenetungsten;sulfanylmethylidenetungsten
SMILESS[C-]=[W].[H]/[C-]=C/C(=[W])CCC
InChIInChI=1S/C6H9.CHS.2W/c1-3-5-6-4-2;1-2;;/h1,3H,4,6H2,2H3;2H;;/q2*-1;;
InChIKeyTTZCQQMOMIPQMR-UHFFFAOYSA-N
MW493.90 g/mol
LogP1.59
Rot. Bonds3

About hex-1-en-3-ylidenetungsten;sulfanylmethylidenetungsten

hex-1-en-3-ylidenetungsten;sulfanylmethylidenetungsten (PubChem CID 59737786) has the molecular formula C7H10SW2-2 and a molecular weight of 493.90 g/mol. Its IUPAC name is hex-1-en-3-ylidenetungsten;sulfanylmethylidenetungsten.

Molecular Properties

Compound Namehex-1-en-3-ylidenetungsten;sulfanylmethylidenetungsten
PubChem CID59737786
Molecular FormulaC7H10SW2-2
Molecular Weight493.90 g/mol
Exact Mass493.95
IUPAC Namehex-1-en-3-ylidenetungsten;sulfanylmethylidenetungsten
SMILESS[C-]=[W].[H]/[C-]=C/C(=[W])CCC
InChIInChI=1S/C6H9.CHS.2W/c1-3-5-6-4-2;1-2;;/h1,3H,4,6H2,2H3;2H;;/q2*-1;;
InChIKeyTTZCQQMOMIPQMR-UHFFFAOYSA-N
XLogP1.59
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.90
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hex-1-en-3-ylidenetungsten;sulfanylmethylidenetungsten?
The IUPAC name of hex-1-en-3-ylidenetungsten;sulfanylmethylidenetungsten (CID 59737786) is hex-1-en-3-ylidenetungsten;sulfanylmethylidenetungsten.
What is the SMILES notation for hex-1-en-3-ylidenetungsten;sulfanylmethylidenetungsten?
The canonical SMILES for hex-1-en-3-ylidenetungsten;sulfanylmethylidenetungsten is S[C-]=[W].[H]/[C-]=C/C(=[W])CCC.
What is the InChIKey of hex-1-en-3-ylidenetungsten;sulfanylmethylidenetungsten?
The InChIKey is TTZCQQMOMIPQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9.CHS.2W/c1-3-5-6-4-2;1-2;;/h1,3H,4,6H2,2H3;2H;;/q2*-1;;.
What are the key properties of hex-1-en-3-ylidenetungsten;sulfanylmethylidenetungsten?
hex-1-en-3-ylidenetungsten;sulfanylmethylidenetungsten has a molecular weight of 493.90 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hex-1-en-3-ylidenetungsten;sulfanylmethylidenetungsten is sourced from PubChem (CID 59737786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).