disodium;formaldehyde;N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate

C5H8N2Na2OS4 — CID 173431312

IUPACdisodium;formaldehyde;N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate
SMILESC=O.S=C([S-])NCCNC(=S)[S-].[Na+].[Na+]
InChIInChI=1S/C4H8N2S4.CH2O.2Na/c7-3(8)5-1-2-6-4(9)10;1-2;;/h1-2H2,(H2,5,7,8)(H2,6,9,10);1H2;;/q;;2*+1/p-2
InChIKeyBKGSXGYVFNSHCZ-UHFFFAOYSA-L
MW286.38 g/mol
LogP-6.35
Rot. Bonds3

About disodium;formaldehyde;N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate

disodium;formaldehyde;N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate (PubChem CID 173431312) has the molecular formula C5H8N2Na2OS4 and a molecular weight of 286.38 g/mol. Its IUPAC name is disodium;formaldehyde;N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate.

Molecular Properties

Compound Namedisodium;formaldehyde;N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate
PubChem CID173431312
Molecular FormulaC5H8N2Na2OS4
Molecular Weight286.38 g/mol
Exact Mass285.93
IUPAC Namedisodium;formaldehyde;N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate
SMILESC=O.S=C([S-])NCCNC(=S)[S-].[Na+].[Na+]
InChIInChI=1S/C4H8N2S4.CH2O.2Na/c7-3(8)5-1-2-6-4(9)10;1-2;;/h1-2H2,(H2,5,7,8)(H2,6,9,10);1H2;;/q;;2*+1/p-2
InChIKeyBKGSXGYVFNSHCZ-UHFFFAOYSA-L
XLogP-6.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 5-6.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

tetrasodium bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate)
CID 23447061
bis(copper(1+));N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate
CID 87101556
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
potassium N-(2-sulfoethyl)carbamodithioate
CID 158001071
diazanium;N-[(sulfidocarbothioylamino)methyl]carbamodithioate
CID 87867679
sodium;zinc;N-butylcarbamodithioate;bis(N,N-diethylcarbamodithioate)
CID 173191465
sodium N-(2-phenylethyl)carbamodithioate
CID 23697126
disodium;N-(3-ethoxy-3-oxopropyl)-N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate
CID 158823180
zinc;manganese(2+);methane;bis(4-(sulfidocarbothioylamino)butanedithioate)
CID 161215587
tetrakis(N-hexylcarbamodithioate);molybdenum(4+)
CID 157134437

Frequently Asked Questions

What is the IUPAC name of disodium;formaldehyde;N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate?
The IUPAC name of disodium;formaldehyde;N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate (CID 173431312) is disodium;formaldehyde;N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate.
What is the SMILES notation for disodium;formaldehyde;N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate?
The canonical SMILES for disodium;formaldehyde;N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate is C=O.S=C([S-])NCCNC(=S)[S-].[Na+].[Na+].
What is the InChIKey of disodium;formaldehyde;N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate?
The InChIKey is BKGSXGYVFNSHCZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H8N2S4.CH2O.2Na/c7-3(8)5-1-2-6-4(9)10;1-2;;/h1-2H2,(H2,5,7,8)(H2,6,9,10);1H2;;/q;;2*+1/p-2.
What are the key properties of disodium;formaldehyde;N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate?
disodium;formaldehyde;N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate has a molecular weight of 286.38 g/mol, XLogP of -6.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;formaldehyde;N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate is sourced from PubChem (CID 173431312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).