disodium;(1Z,3Z)-N,N'-di(ethanethioyl)-N,N'-dimethylpropanedihydrazonate

C9H14N4Na2O2S2 — CID 11529840

IUPACdisodium;(1Z,3Z)-N,N'-di(ethanethioyl)-N,N'-dimethylpropanedihydrazonate
SMILESCC(=S)N(C)/N=C(\[O-])C/C([O-])=N/N(C)C(C)=S.[Na+].[Na+]
InChIInChI=1S/C9H16N4O2S2.2Na/c1-6(16)12(3)10-8(14)5-9(15)11-13(4)7(2)17;;/h5H2,1-4H3,(H,10,14)(H,11,15);;/q;2*+1/p-2
InChIKeyVLBRMMNQPCUOBU-UHFFFAOYSA-L
MW320.35 g/mol
LogP-6.71
Rot. Bonds4

About disodium;(1Z,3Z)-N,N'-di(ethanethioyl)-N,N'-dimethylpropanedihydrazonate

disodium;(1Z,3Z)-N,N'-di(ethanethioyl)-N,N'-dimethylpropanedihydrazonate (PubChem CID 11529840) has the molecular formula C9H14N4Na2O2S2 and a molecular weight of 320.35 g/mol. Its IUPAC name is disodium;(1Z,3Z)-N,N'-di(ethanethioyl)-N,N'-dimethylpropanedihydrazonate.

Molecular Properties

Compound Namedisodium;(1Z,3Z)-N,N'-di(ethanethioyl)-N,N'-dimethylpropanedihydrazonate
PubChem CID11529840
Molecular FormulaC9H14N4Na2O2S2
Molecular Weight320.35 g/mol
Exact Mass320.04
IUPAC Namedisodium;(1Z,3Z)-N,N'-di(ethanethioyl)-N,N'-dimethylpropanedihydrazonate
SMILESCC(=S)N(C)/N=C(\[O-])C/C([O-])=N/N(C)C(C)=S.[Na+].[Na+]
InChIInChI=1S/C9H16N4O2S2.2Na/c1-6(16)12(3)10-8(14)5-9(15)11-13(4)7(2)17;;/h5H2,1-4H3,(H,10,14)(H,11,15);;/q;2*+1/p-2
InChIKeyVLBRMMNQPCUOBU-UHFFFAOYSA-L
XLogP-6.71
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 5-6.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 disodium;(1Z,3Z)-N,N'-di(ethanethioyl)-N,N'-dimethylpropanedihydrazonate?
The IUPAC name of disodium;(1Z,3Z)-N,N'-di(ethanethioyl)-N,N'-dimethylpropanedihydrazonate (CID 11529840) is disodium;(1Z,3Z)-N,N'-di(ethanethioyl)-N,N'-dimethylpropanedihydrazonate.
What is the SMILES notation for disodium;(1Z,3Z)-N,N'-di(ethanethioyl)-N,N'-dimethylpropanedihydrazonate?
The canonical SMILES for disodium;(1Z,3Z)-N,N'-di(ethanethioyl)-N,N'-dimethylpropanedihydrazonate is CC(=S)N(C)/N=C(\[O-])C/C([O-])=N/N(C)C(C)=S.[Na+].[Na+].
What is the InChIKey of disodium;(1Z,3Z)-N,N'-di(ethanethioyl)-N,N'-dimethylpropanedihydrazonate?
The InChIKey is VLBRMMNQPCUOBU-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H16N4O2S2.2Na/c1-6(16)12(3)10-8(14)5-9(15)11-13(4)7(2)17;;/h5H2,1-4H3,(H,10,14)(H,11,15);;/q;2*+1/p-2.
What are the key properties of disodium;(1Z,3Z)-N,N'-di(ethanethioyl)-N,N'-dimethylpropanedihydrazonate?
disodium;(1Z,3Z)-N,N'-di(ethanethioyl)-N,N'-dimethylpropanedihydrazonate has a molecular weight of 320.35 g/mol, XLogP of -6.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;(1Z,3Z)-N,N'-di(ethanethioyl)-N,N'-dimethylpropanedihydrazonate is sourced from PubChem (CID 11529840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).