1-N',3-N'-di(ethanethioyl)-1-N',3-N'-diphenylpropanedihydrazide

C19H20N4O2S2 — CID 10222637

IUPAC1-N',3-N'-di(ethanethioyl)-1-N',3-N'-diphenylpropanedihydrazide
SMILESCC(=S)N(NC(=O)CC(=O)NN(C(C)=S)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20N4O2S2/c1-14(26)22(16-9-5-3-6-10-16)20-18(24)13-19(25)21-23(15(2)27)17-11-7-4-8-12-17/h3-12H,13H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyWRJQYIOTPRMTQA-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.15
Rot. Bonds4

About 1-N',3-N'-di(ethanethioyl)-1-N',3-N'-diphenylpropanedihydrazide

1-N',3-N'-di(ethanethioyl)-1-N',3-N'-diphenylpropanedihydrazide (PubChem CID 10222637) has the molecular formula C19H20N4O2S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 1-N',3-N'-di(ethanethioyl)-1-N',3-N'-diphenylpropanedihydrazide.

Molecular Properties

Compound Name1-N',3-N'-di(ethanethioyl)-1-N',3-N'-diphenylpropanedihydrazide
PubChem CID10222637
Molecular FormulaC19H20N4O2S2
Molecular Weight400.53 g/mol
Exact Mass400.10
IUPAC Name1-N',3-N'-di(ethanethioyl)-1-N',3-N'-diphenylpropanedihydrazide
SMILESCC(=S)N(NC(=O)CC(=O)NN(C(C)=S)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20N4O2S2/c1-14(26)22(16-9-5-3-6-10-16)20-18(24)13-19(25)21-23(15(2)27)17-11-7-4-8-12-17/h3-12H,13H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyWRJQYIOTPRMTQA-UHFFFAOYSA-N
XLogP3.15
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N',3-N'-di(ethanethioyl)-1-N',3-N'-diphenylpropanedihydrazide?
The IUPAC name of 1-N',3-N'-di(ethanethioyl)-1-N',3-N'-diphenylpropanedihydrazide (CID 10222637) is 1-N',3-N'-di(ethanethioyl)-1-N',3-N'-diphenylpropanedihydrazide.
What is the SMILES notation for 1-N',3-N'-di(ethanethioyl)-1-N',3-N'-diphenylpropanedihydrazide?
The canonical SMILES for 1-N',3-N'-di(ethanethioyl)-1-N',3-N'-diphenylpropanedihydrazide is CC(=S)N(NC(=O)CC(=O)NN(C(C)=S)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-N',3-N'-di(ethanethioyl)-1-N',3-N'-diphenylpropanedihydrazide?
The InChIKey is WRJQYIOTPRMTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S2/c1-14(26)22(16-9-5-3-6-10-16)20-18(24)13-19(25)21-23(15(2)27)17-11-7-4-8-12-17/h3-12H,13H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of 1-N',3-N'-di(ethanethioyl)-1-N',3-N'-diphenylpropanedihydrazide?
1-N',3-N'-di(ethanethioyl)-1-N',3-N'-diphenylpropanedihydrazide has a molecular weight of 400.53 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',3-N'-di(ethanethioyl)-1-N',3-N'-diphenylpropanedihydrazide is sourced from PubChem (CID 10222637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).