sodium dimethylcarbamodithioic acid

C3H7NNaS2+ — CID 19877808

IUPACsodium dimethylcarbamodithioic acid
SMILESCN(C)C(=S)S.[Na+]
InChIInChI=1S/C3H7NS2.Na/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1
InChIKeyVMSRVIHUFHQIAL-UHFFFAOYSA-N
MW144.22 g/mol
LogP-2.23
Rot. Bonds

About sodium dimethylcarbamodithioic acid

sodium dimethylcarbamodithioic acid (PubChem CID 19877808) has the molecular formula C3H7NNaS2+ and a molecular weight of 144.22 g/mol. Its IUPAC name is sodium dimethylcarbamodithioic acid.

Molecular Properties

Compound Namesodium dimethylcarbamodithioic acid
PubChem CID19877808
Molecular FormulaC3H7NNaS2+
Molecular Weight144.22 g/mol
Exact Mass143.99
IUPAC Namesodium dimethylcarbamodithioic acid
SMILESCN(C)C(=S)S.[Na+]
InChIInChI=1S/C3H7NS2.Na/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1
InChIKeyVMSRVIHUFHQIAL-UHFFFAOYSA-N
XLogP-2.23
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-2.23
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'}

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Frequently Asked Questions

What is the IUPAC name of sodium dimethylcarbamodithioic acid?
The IUPAC name of sodium dimethylcarbamodithioic acid (CID 19877808) is sodium dimethylcarbamodithioic acid.
What is the SMILES notation for sodium dimethylcarbamodithioic acid?
The canonical SMILES for sodium dimethylcarbamodithioic acid is CN(C)C(=S)S.[Na+].
What is the InChIKey of sodium dimethylcarbamodithioic acid?
The InChIKey is VMSRVIHUFHQIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NS2.Na/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1.
What are the key properties of sodium dimethylcarbamodithioic acid?
sodium dimethylcarbamodithioic acid has a molecular weight of 144.22 g/mol, XLogP of -2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium dimethylcarbamodithioic acid is sourced from PubChem (CID 19877808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).