sodium;carbamodithioic acid;hydride

CH4NNaS2 — CID 173103786

IUPACsodium;carbamodithioic acid;hydride
SMILESNC(=S)S.[H-].[Na+]
InChIInChI=1S/CH3NS2.Na.H/c2-1(3)4;;/h(H3,2,3,4);;/q;+1;-1
InChIKeyPNMUWWFFEGVWRN-UHFFFAOYSA-N
MW117.17 g/mol
LogP-2.72
Rot. Bonds

About sodium;carbamodithioic acid;hydride

sodium;carbamodithioic acid;hydride (PubChem CID 173103786) has the molecular formula CH4NNaS2 and a molecular weight of 117.17 g/mol. Its IUPAC name is sodium;carbamodithioic acid;hydride.

Molecular Properties

Compound Namesodium;carbamodithioic acid;hydride
PubChem CID173103786
Molecular FormulaCH4NNaS2
Molecular Weight117.17 g/mol
Exact Mass116.97
IUPAC Namesodium;carbamodithioic acid;hydride
SMILESNC(=S)S.[H-].[Na+]
InChIInChI=1S/CH3NS2.Na.H/c2-1(3)4;;/h(H3,2,3,4);;/q;+1;-1
InChIKeyPNMUWWFFEGVWRN-UHFFFAOYSA-N
XLogP-2.72
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 5-2.72
H-Bond Donors ≤ 52
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;carbamodithioic acid;hydride?
The IUPAC name of sodium;carbamodithioic acid;hydride (CID 173103786) is sodium;carbamodithioic acid;hydride.
What is the SMILES notation for sodium;carbamodithioic acid;hydride?
The canonical SMILES for sodium;carbamodithioic acid;hydride is NC(=S)S.[H-].[Na+].
What is the InChIKey of sodium;carbamodithioic acid;hydride?
The InChIKey is PNMUWWFFEGVWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NS2.Na.H/c2-1(3)4;;/h(H3,2,3,4);;/q;+1;-1.
What are the key properties of sodium;carbamodithioic acid;hydride?
sodium;carbamodithioic acid;hydride has a molecular weight of 117.17 g/mol, XLogP of -2.72, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;carbamodithioic acid;hydride is sourced from PubChem (CID 173103786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).