disodium bis(N,N-dimethylcarbamodithioate)

C6H12N2Na2S4 — CID 160761819

IUPACdisodium bis(N,N-dimethylcarbamodithioate)
SMILESCN(C)C(=S)[S-].CN(C)C(=S)[S-].[Na+].[Na+]
InChIInChI=1S/2C3H7NS2.2Na/c2*1-4(2)3(5)6;;/h2*1-2H3,(H,5,6);;/q;;2*+1/p-2
InChIKeyRYDZUXOLGXXHNX-UHFFFAOYSA-L
MW286.42 g/mol
LogP-5.23
Rot. Bonds

About disodium bis(N,N-dimethylcarbamodithioate)

disodium bis(N,N-dimethylcarbamodithioate) (PubChem CID 160761819) has the molecular formula C6H12N2Na2S4 and a molecular weight of 286.42 g/mol. Its IUPAC name is disodium bis(N,N-dimethylcarbamodithioate).

Molecular Properties

Compound Namedisodium bis(N,N-dimethylcarbamodithioate)
PubChem CID160761819
Molecular FormulaC6H12N2Na2S4
Molecular Weight286.42 g/mol
Exact Mass285.97
IUPAC Namedisodium bis(N,N-dimethylcarbamodithioate)
SMILESCN(C)C(=S)[S-].CN(C)C(=S)[S-].[Na+].[Na+]
InChIInChI=1S/2C3H7NS2.2Na/c2*1-4(2)3(5)6;;/h2*1-2H3,(H,5,6);;/q;;2*+1/p-2
InChIKeyRYDZUXOLGXXHNX-UHFFFAOYSA-L
XLogP-5.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 5-5.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disodium bis(N,N-dimethylcarbamodithioate)?
The IUPAC name of disodium bis(N,N-dimethylcarbamodithioate) (CID 160761819) is disodium bis(N,N-dimethylcarbamodithioate).
What is the SMILES notation for disodium bis(N,N-dimethylcarbamodithioate)?
The canonical SMILES for disodium bis(N,N-dimethylcarbamodithioate) is CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Na+].[Na+].
What is the InChIKey of disodium bis(N,N-dimethylcarbamodithioate)?
The InChIKey is RYDZUXOLGXXHNX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H7NS2.2Na/c2*1-4(2)3(5)6;;/h2*1-2H3,(H,5,6);;/q;;2*+1/p-2.
What are the key properties of disodium bis(N,N-dimethylcarbamodithioate)?
disodium bis(N,N-dimethylcarbamodithioate) has a molecular weight of 286.42 g/mol, XLogP of -5.23, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium bis(N,N-dimethylcarbamodithioate) is sourced from PubChem (CID 160761819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).