sodium N-methylidenecarbamodithioate

C2H2NNaS2 — CID 141440522

IUPACsodium N-methylidenecarbamodithioate
SMILESC=NC(=S)[S-].[Na+]
InChIInChI=1S/C2H3NS2.Na/c1-3-2(4)5;/h1H2,(H,4,5);/q;+1/p-1
InChIKeyXLOGXSRSHYIGFJ-UHFFFAOYSA-M
MW127.17 g/mol
LogP-2.48
Rot. Bonds

About sodium N-methylidenecarbamodithioate

sodium N-methylidenecarbamodithioate (PubChem CID 141440522) has the molecular formula C2H2NNaS2 and a molecular weight of 127.17 g/mol. Its IUPAC name is sodium N-methylidenecarbamodithioate.

Molecular Properties

Compound Namesodium N-methylidenecarbamodithioate
PubChem CID141440522
Molecular FormulaC2H2NNaS2
Molecular Weight127.17 g/mol
Exact Mass126.95
IUPAC Namesodium N-methylidenecarbamodithioate
SMILESC=NC(=S)[S-].[Na+]
InChIInChI=1S/C2H3NS2.Na/c1-3-2(4)5;/h1H2,(H,4,5);/q;+1/p-1
InChIKeyXLOGXSRSHYIGFJ-UHFFFAOYSA-M
XLogP-2.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.17
LogP ≤ 5-2.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze sodium N-methylidenecarbamodithioate 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 sodium N-methylidenecarbamodithioate?
The IUPAC name of sodium N-methylidenecarbamodithioate (CID 141440522) is sodium N-methylidenecarbamodithioate.
What is the SMILES notation for sodium N-methylidenecarbamodithioate?
The canonical SMILES for sodium N-methylidenecarbamodithioate is C=NC(=S)[S-].[Na+].
What is the InChIKey of sodium N-methylidenecarbamodithioate?
The InChIKey is XLOGXSRSHYIGFJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H3NS2.Na/c1-3-2(4)5;/h1H2,(H,4,5);/q;+1/p-1.
What are the key properties of sodium N-methylidenecarbamodithioate?
sodium N-methylidenecarbamodithioate has a molecular weight of 127.17 g/mol, XLogP of -2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-methylidenecarbamodithioate is sourced from PubChem (CID 141440522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).