disodium;N-[1-(sulfidocarbothioylamino)ethenyl]carbamodithioate

C4H4N2Na2S4 — CID 141003634

IUPACdisodium;N-[1-(sulfidocarbothioylamino)ethenyl]carbamodithioate
SMILESC=C(NC(=S)[S-])NC(=S)[S-].[Na+].[Na+]
InChIInChI=1S/C4H6N2S4.2Na/c1-2(5-3(7)8)6-4(9)10;;/h1H2,(H2,5,7,8)(H2,6,9,10);;/q;2*+1/p-2
InChIKeyHLRCRMMMPPIZIW-UHFFFAOYSA-L
MW254.34 g/mol
LogP-5.69
Rot. Bonds2

About disodium;N-[1-(sulfidocarbothioylamino)ethenyl]carbamodithioate

disodium;N-[1-(sulfidocarbothioylamino)ethenyl]carbamodithioate (PubChem CID 141003634) has the molecular formula C4H4N2Na2S4 and a molecular weight of 254.34 g/mol. Its IUPAC name is disodium;N-[1-(sulfidocarbothioylamino)ethenyl]carbamodithioate.

Molecular Properties

Compound Namedisodium;N-[1-(sulfidocarbothioylamino)ethenyl]carbamodithioate
PubChem CID141003634
Molecular FormulaC4H4N2Na2S4
Molecular Weight254.34 g/mol
Exact Mass253.91
IUPAC Namedisodium;N-[1-(sulfidocarbothioylamino)ethenyl]carbamodithioate
SMILESC=C(NC(=S)[S-])NC(=S)[S-].[Na+].[Na+]
InChIInChI=1S/C4H6N2S4.2Na/c1-2(5-3(7)8)6-4(9)10;;/h1H2,(H2,5,7,8)(H2,6,9,10);;/q;2*+1/p-2
InChIKeyHLRCRMMMPPIZIW-UHFFFAOYSA-L
XLogP-5.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 5-5.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze disodium;N-[1-(sulfidocarbothioylamino)ethenyl]carbamodithioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of disodium;N-[1-(sulfidocarbothioylamino)ethenyl]carbamodithioate?
The IUPAC name of disodium;N-[1-(sulfidocarbothioylamino)ethenyl]carbamodithioate (CID 141003634) is disodium;N-[1-(sulfidocarbothioylamino)ethenyl]carbamodithioate.
What is the SMILES notation for disodium;N-[1-(sulfidocarbothioylamino)ethenyl]carbamodithioate?
The canonical SMILES for disodium;N-[1-(sulfidocarbothioylamino)ethenyl]carbamodithioate is C=C(NC(=S)[S-])NC(=S)[S-].[Na+].[Na+].
What is the InChIKey of disodium;N-[1-(sulfidocarbothioylamino)ethenyl]carbamodithioate?
The InChIKey is HLRCRMMMPPIZIW-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H6N2S4.2Na/c1-2(5-3(7)8)6-4(9)10;;/h1H2,(H2,5,7,8)(H2,6,9,10);;/q;2*+1/p-2.
What are the key properties of disodium;N-[1-(sulfidocarbothioylamino)ethenyl]carbamodithioate?
disodium;N-[1-(sulfidocarbothioylamino)ethenyl]carbamodithioate has a molecular weight of 254.34 g/mol, XLogP of -5.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;N-[1-(sulfidocarbothioylamino)ethenyl]carbamodithioate is sourced from PubChem (CID 141003634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).