tetrasodium bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate)

C8H12N4Na4S8 — CID 23447061

IUPACtetrasodium bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate)
SMILESS=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/2C4H8N2S4.4Na/c2*7-3(8)5-1-2-6-4(9)10;;;;/h2*1-2H2,(H2,5,7,8)(H2,6,9,10);;;;/q;;4*+1/p-4
InChIKeyNOSXRVKNOKWZHX-UHFFFAOYSA-J
MW512.71 g/mol
LogP-12.33
Rot. Bonds6

About tetrasodium bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate)

tetrasodium bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate) (PubChem CID 23447061) has the molecular formula C8H12N4Na4S8 and a molecular weight of 512.71 g/mol. Its IUPAC name is tetrasodium bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate).

Molecular Properties

Compound Nametetrasodium bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate)
PubChem CID23447061
Molecular FormulaC8H12N4Na4S8
Molecular Weight512.71 g/mol
Exact Mass511.84
IUPAC Nametetrasodium bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate)
SMILESS=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/2C4H8N2S4.4Na/c2*7-3(8)5-1-2-6-4(9)10;;;;/h2*1-2H2,(H2,5,7,8)(H2,6,9,10);;;;/q;;4*+1/p-4
InChIKeyNOSXRVKNOKWZHX-UHFFFAOYSA-J
XLogP-12.33
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.71
LogP ≤ 5-12.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

bis(copper(1+));N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate
CID 87101556
disodium;formaldehyde;N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate
CID 173431312
zinc N-[3-(sulfidocarbothioylamino)propyl]carbamodithioate
CID 12898683
sodium N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]carbamodithioate
CID 90475849
zinc N-[6-(sulfidocarbothioylamino)hexyl]carbamodithioate
CID 15651749
diazanium;N-[(sulfidocarbothioylamino)methyl]carbamodithioate
CID 87867679
sodium N-(2-phenylethyl)carbamodithioate
CID 23697126
potassium N-(2-sulfoethyl)carbamodithioate
CID 158001071
tetrakis(N-hexylcarbamodithioate);molybdenum(4+)
CID 157134437
zinc;manganese(2+);methane;bis(4-(sulfidocarbothioylamino)butanedithioate)
CID 161215587
sodium;zinc;N-butylcarbamodithioate;bis(N,N-diethylcarbamodithioate)
CID 173191465
zinc bis(N-(6-methylheptyl)carbamodithioate)
CID 141144975

Frequently Asked Questions

What is the IUPAC name of tetrasodium bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate)?
The IUPAC name of tetrasodium bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate) (CID 23447061) is tetrasodium bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate).
What is the SMILES notation for tetrasodium bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate)?
The canonical SMILES for tetrasodium bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate) is S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate)?
The InChIKey is NOSXRVKNOKWZHX-UHFFFAOYSA-J. The full InChI is InChI=1S/2C4H8N2S4.4Na/c2*7-3(8)5-1-2-6-4(9)10;;;;/h2*1-2H2,(H2,5,7,8)(H2,6,9,10);;;;/q;;4*+1/p-4.
What are the key properties of tetrasodium bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate)?
tetrasodium bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate) has a molecular weight of 512.71 g/mol, XLogP of -12.33, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate) is sourced from PubChem (CID 23447061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).