formaldehyde;(5E)-5-[[4-(3-methylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;methylphosphane

C18H20NO2PS2 — CID 142991354

IUPACformaldehyde;(5E)-5-[[4-(3-methylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;methylphosphane
SMILESC=O.CP.Cc1cccc(C2=CC=C(/C=C3/SC(=S)NC3=O)C2)c1
InChIInChI=1S/C16H13NOS2.CH2O.CH5P/c1-10-3-2-4-12(7-10)13-6-5-11(8-13)9-14-15(18)17-16(19)20-14;2*1-2/h2-7,9H,8H2,1H3,(H,17,18,19);1H2;2H2,1H3/b14-9+;;
InChIKeyGOMUXNKSLNLJLE-CAJRCRMVSA-N
MW377.47 g/mol
LogP4.05
Rot. Bonds2

About formaldehyde;(5E)-5-[[4-(3-methylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;methylphosphane

formaldehyde;(5E)-5-[[4-(3-methylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;methylphosphane (PubChem CID 142991354) has the molecular formula C18H20NO2PS2 and a molecular weight of 377.47 g/mol. Its IUPAC name is formaldehyde;(5E)-5-[[4-(3-methylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;methylphosphane.

Molecular Properties

Compound Nameformaldehyde;(5E)-5-[[4-(3-methylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;methylphosphane
PubChem CID142991354
Molecular FormulaC18H20NO2PS2
Molecular Weight377.47 g/mol
Exact Mass377.07
IUPAC Nameformaldehyde;(5E)-5-[[4-(3-methylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;methylphosphane
SMILESC=O.CP.Cc1cccc(C2=CC=C(/C=C3/SC(=S)NC3=O)C2)c1
InChIInChI=1S/C16H13NOS2.CH2O.CH5P/c1-10-3-2-4-12(7-10)13-6-5-11(8-13)9-14-15(18)17-16(19)20-14;2*1-2/h2-7,9H,8H2,1H3,(H,17,18,19);1H2;2H2,1H3/b14-9+;;
InChIKeyGOMUXNKSLNLJLE-CAJRCRMVSA-N
XLogP4.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;(5E)-5-[[4-(3-methylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;methylphosphane?
The IUPAC name of formaldehyde;(5E)-5-[[4-(3-methylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;methylphosphane (CID 142991354) is formaldehyde;(5E)-5-[[4-(3-methylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;methylphosphane.
What is the SMILES notation for formaldehyde;(5E)-5-[[4-(3-methylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;methylphosphane?
The canonical SMILES for formaldehyde;(5E)-5-[[4-(3-methylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;methylphosphane is C=O.CP.Cc1cccc(C2=CC=C(/C=C3/SC(=S)NC3=O)C2)c1.
What is the InChIKey of formaldehyde;(5E)-5-[[4-(3-methylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;methylphosphane?
The InChIKey is GOMUXNKSLNLJLE-CAJRCRMVSA-N. The full InChI is InChI=1S/C16H13NOS2.CH2O.CH5P/c1-10-3-2-4-12(7-10)13-6-5-11(8-13)9-14-15(18)17-16(19)20-14;2*1-2/h2-7,9H,8H2,1H3,(H,17,18,19);1H2;2H2,1H3/b14-9+;;.
What are the key properties of formaldehyde;(5E)-5-[[4-(3-methylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;methylphosphane?
formaldehyde;(5E)-5-[[4-(3-methylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;methylphosphane has a molecular weight of 377.47 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;(5E)-5-[[4-(3-methylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;methylphosphane is sourced from PubChem (CID 142991354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).