sodium;amino N-ethylidenecarbamodithioate;hydride

C3H7N2NaS2 — CID 175022401

IUPACsodium;amino N-ethylidenecarbamodithioate;hydride
SMILESCC=NC(=S)SN.[H-].[Na+]
InChIInChI=1S/C3H6N2S2.Na.H/c1-2-5-3(6)7-4;;/h2H,4H2,1H3;;/q;+1;-1
InChIKeyUWAWEMHYERGXMB-UHFFFAOYSA-N
MW158.23 g/mol
LogP-1.91
Rot. Bonds

About sodium;amino N-ethylidenecarbamodithioate;hydride

sodium;amino N-ethylidenecarbamodithioate;hydride (PubChem CID 175022401) has the molecular formula C3H7N2NaS2 and a molecular weight of 158.23 g/mol. Its IUPAC name is sodium;amino N-ethylidenecarbamodithioate;hydride.

Molecular Properties

Compound Namesodium;amino N-ethylidenecarbamodithioate;hydride
PubChem CID175022401
Molecular FormulaC3H7N2NaS2
Molecular Weight158.23 g/mol
Exact Mass157.99
IUPAC Namesodium;amino N-ethylidenecarbamodithioate;hydride
SMILESCC=NC(=S)SN.[H-].[Na+]
InChIInChI=1S/C3H6N2S2.Na.H/c1-2-5-3(6)7-4;;/h2H,4H2,1H3;;/q;+1;-1
InChIKeyUWAWEMHYERGXMB-UHFFFAOYSA-N
XLogP-1.91
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 5-1.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;amino N-ethylidenecarbamodithioate;hydride?
The IUPAC name of sodium;amino N-ethylidenecarbamodithioate;hydride (CID 175022401) is sodium;amino N-ethylidenecarbamodithioate;hydride.
What is the SMILES notation for sodium;amino N-ethylidenecarbamodithioate;hydride?
The canonical SMILES for sodium;amino N-ethylidenecarbamodithioate;hydride is CC=NC(=S)SN.[H-].[Na+].
What is the InChIKey of sodium;amino N-ethylidenecarbamodithioate;hydride?
The InChIKey is UWAWEMHYERGXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2S2.Na.H/c1-2-5-3(6)7-4;;/h2H,4H2,1H3;;/q;+1;-1.
What are the key properties of sodium;amino N-ethylidenecarbamodithioate;hydride?
sodium;amino N-ethylidenecarbamodithioate;hydride has a molecular weight of 158.23 g/mol, XLogP of -1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;amino N-ethylidenecarbamodithioate;hydride is sourced from PubChem (CID 175022401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).