sodium N,N-bis(ethylamino)carbamodithioate

C5H12N3NaS2 — CID 141385731

IUPACsodium N,N-bis(ethylamino)carbamodithioate
SMILESCCNN(NCC)C(=S)[S-].[Na+]
InChIInChI=1S/C5H13N3S2.Na/c1-3-6-8(5(9)10)7-4-2;/h6-7H,3-4H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyGWZJPYBCSYWOIQ-UHFFFAOYSA-M
MW201.30 g/mol
LogP-2.83
Rot. Bonds4

About sodium N,N-bis(ethylamino)carbamodithioate

sodium N,N-bis(ethylamino)carbamodithioate (PubChem CID 141385731) has the molecular formula C5H12N3NaS2 and a molecular weight of 201.30 g/mol. Its IUPAC name is sodium N,N-bis(ethylamino)carbamodithioate.

Molecular Properties

Compound Namesodium N,N-bis(ethylamino)carbamodithioate
PubChem CID141385731
Molecular FormulaC5H12N3NaS2
Molecular Weight201.30 g/mol
Exact Mass201.04
IUPAC Namesodium N,N-bis(ethylamino)carbamodithioate
SMILESCCNN(NCC)C(=S)[S-].[Na+]
InChIInChI=1S/C5H13N3S2.Na/c1-3-6-8(5(9)10)7-4-2;/h6-7H,3-4H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyGWZJPYBCSYWOIQ-UHFFFAOYSA-M
XLogP-2.83
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.30
LogP ≤ 5-2.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze sodium N,N-bis(ethylamino)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 sodium N,N-bis(ethylamino)carbamodithioate?
The IUPAC name of sodium N,N-bis(ethylamino)carbamodithioate (CID 141385731) is sodium N,N-bis(ethylamino)carbamodithioate.
What is the SMILES notation for sodium N,N-bis(ethylamino)carbamodithioate?
The canonical SMILES for sodium N,N-bis(ethylamino)carbamodithioate is CCNN(NCC)C(=S)[S-].[Na+].
What is the InChIKey of sodium N,N-bis(ethylamino)carbamodithioate?
The InChIKey is GWZJPYBCSYWOIQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H13N3S2.Na/c1-3-6-8(5(9)10)7-4-2;/h6-7H,3-4H2,1-2H3,(H,9,10);/q;+1/p-1.
What are the key properties of sodium N,N-bis(ethylamino)carbamodithioate?
sodium N,N-bis(ethylamino)carbamodithioate has a molecular weight of 201.30 g/mol, XLogP of -2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N,N-bis(ethylamino)carbamodithioate is sourced from PubChem (CID 141385731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).