disodium;dimethylcarbamodithioic acid;hydride

C3H9NNa2S2 — CID 174615347

IUPACdisodium;dimethylcarbamodithioic acid;hydride
SMILESCN(C)C(=S)S.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C3H7NS2.2Na.2H/c1-4(2)3(5)6;;;;/h1-2H3,(H,5,6);;;;/q;2*+1;2*-1
InChIKeyNFJXMHCGBQLKKL-UHFFFAOYSA-N
MW169.23 g/mol
LogP-5.00
Rot. Bonds

About disodium;dimethylcarbamodithioic acid;hydride

disodium;dimethylcarbamodithioic acid;hydride (PubChem CID 174615347) has the molecular formula C3H9NNa2S2 and a molecular weight of 169.23 g/mol. Its IUPAC name is disodium;dimethylcarbamodithioic acid;hydride.

Molecular Properties

Compound Namedisodium;dimethylcarbamodithioic acid;hydride
PubChem CID174615347
Molecular FormulaC3H9NNa2S2
Molecular Weight169.23 g/mol
Exact Mass169.00
IUPAC Namedisodium;dimethylcarbamodithioic acid;hydride
SMILESCN(C)C(=S)S.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C3H7NS2.2Na.2H/c1-4(2)3(5)6;;;;/h1-2H3,(H,5,6);;;;/q;2*+1;2*-1
InChIKeyNFJXMHCGBQLKKL-UHFFFAOYSA-N
XLogP-5.00
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-5.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze disodium;dimethylcarbamodithioic acid;hydride with MolForge

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

Launch Full Analysis

Related Compounds

sodium dimethylcarbamodithioic acid
CID 19877808
cerium;dimethylcarbamodithioic acid
CID 174758864
CID 54599967
CID 54599967
dimethylcarbamodithioic acid;iron(2+)
CID 23619204
carbamothioic S-acid;bis(dimethylcarbamodithioic acid);zinc
CID 173305177
dimethylcarbamodithioic acid;prop-2-enenitrile
CID 175475389
sodium;diethylcarbamodithioic acid;hydride
CID 173014233
dimethylamino(methyl)carbamodithioic acid
CID 18736477
sodium;carbamodithioic acid;hydride
CID 173103786
disodium bis(N,N-dimethylcarbamodithioate)
CID 160761819
zinc;dimethylcarbamodithioic acid;2-(dithiocarboxyamino)ethylcarbamodithioic acid;tetramethylazanium
CID 86735534
methoxy(methyl)carbamodithioic acid
CID 14839544

Frequently Asked Questions

What is the IUPAC name of disodium;dimethylcarbamodithioic acid;hydride?
The IUPAC name of disodium;dimethylcarbamodithioic acid;hydride (CID 174615347) is disodium;dimethylcarbamodithioic acid;hydride.
What is the SMILES notation for disodium;dimethylcarbamodithioic acid;hydride?
The canonical SMILES for disodium;dimethylcarbamodithioic acid;hydride is CN(C)C(=S)S.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;dimethylcarbamodithioic acid;hydride?
The InChIKey is NFJXMHCGBQLKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NS2.2Na.2H/c1-4(2)3(5)6;;;;/h1-2H3,(H,5,6);;;;/q;2*+1;2*-1.
What are the key properties of disodium;dimethylcarbamodithioic acid;hydride?
disodium;dimethylcarbamodithioic acid;hydride has a molecular weight of 169.23 g/mol, XLogP of -5.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;dimethylcarbamodithioic acid;hydride is sourced from PubChem (CID 174615347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).