2-(dithiocarboxyamino)ethoxymethanedithioic acid

C4H7NOS4 — CID 118518476

IUPAC2-(dithiocarboxyamino)ethoxymethanedithioic acid
SMILESS=C(S)NCCOC(=S)S
InChIInChI=1S/C4H7NOS4/c7-3(8)5-1-2-6-4(9)10/h1-2H2,(H,9,10)(H2,5,7,8)
InChIKeyQKNSPFDNSZCGGR-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.02
Rot. Bonds3

About 2-(dithiocarboxyamino)ethoxymethanedithioic acid

2-(dithiocarboxyamino)ethoxymethanedithioic acid (PubChem CID 118518476) has the molecular formula C4H7NOS4 and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-(dithiocarboxyamino)ethoxymethanedithioic acid.

Molecular Properties

Compound Name2-(dithiocarboxyamino)ethoxymethanedithioic acid
PubChem CID118518476
Molecular FormulaC4H7NOS4
Molecular Weight213.37 g/mol
Exact Mass212.94
IUPAC Name2-(dithiocarboxyamino)ethoxymethanedithioic acid
SMILESS=C(S)NCCOC(=S)S
InChIInChI=1S/C4H7NOS4/c7-3(8)5-1-2-6-4(9)10/h1-2H2,(H,9,10)(H2,5,7,8)
InChIKeyQKNSPFDNSZCGGR-UHFFFAOYSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-(dithiocarboxyamino)ethoxymethanedithioic acid?
The IUPAC name of 2-(dithiocarboxyamino)ethoxymethanedithioic acid (CID 118518476) is 2-(dithiocarboxyamino)ethoxymethanedithioic acid.
What is the SMILES notation for 2-(dithiocarboxyamino)ethoxymethanedithioic acid?
The canonical SMILES for 2-(dithiocarboxyamino)ethoxymethanedithioic acid is S=C(S)NCCOC(=S)S.
What is the InChIKey of 2-(dithiocarboxyamino)ethoxymethanedithioic acid?
The InChIKey is QKNSPFDNSZCGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NOS4/c7-3(8)5-1-2-6-4(9)10/h1-2H2,(H,9,10)(H2,5,7,8).
What are the key properties of 2-(dithiocarboxyamino)ethoxymethanedithioic acid?
2-(dithiocarboxyamino)ethoxymethanedithioic acid has a molecular weight of 213.37 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dithiocarboxyamino)ethoxymethanedithioic acid is sourced from PubChem (CID 118518476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).