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

C6H10N2Na2OS4 — CID 88755545

IUPACdisodium;N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate
SMILESS=C([S-])NCCOCCNC(=S)[S-].[Na+].[Na+]
InChIInChI=1S/C6H12N2OS4.2Na/c10-5(11)7-1-3-9-4-2-8-6(12)13;;/h1-4H2,(H2,7,10,11)(H2,8,12,13);;/q;2*+1/p-2
InChIKeyQMAPVGORDPELCM-UHFFFAOYSA-L
MW300.41 g/mol
LogP-6.15
Rot. Bonds6

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

disodium;N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate (PubChem CID 88755545) has the molecular formula C6H10N2Na2OS4 and a molecular weight of 300.41 g/mol. Its IUPAC name is disodium;N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate.

Molecular Properties

Compound Namedisodium;N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate
PubChem CID88755545
Molecular FormulaC6H10N2Na2OS4
Molecular Weight300.41 g/mol
Exact Mass299.95
IUPAC Namedisodium;N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate
SMILESS=C([S-])NCCOCCNC(=S)[S-].[Na+].[Na+]
InChIInChI=1S/C6H12N2OS4.2Na/c10-5(11)7-1-3-9-4-2-8-6(12)13;;/h1-4H2,(H2,7,10,11)(H2,8,12,13);;/q;2*+1/p-2
InChIKeyQMAPVGORDPELCM-UHFFFAOYSA-L
XLogP-6.15
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 5-6.15
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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Frequently Asked Questions

What is the IUPAC name of disodium;N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate?
The IUPAC name of disodium;N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate (CID 88755545) is disodium;N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate.
What is the SMILES notation for disodium;N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate?
The canonical SMILES for disodium;N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate is S=C([S-])NCCOCCNC(=S)[S-].[Na+].[Na+].
What is the InChIKey of disodium;N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate?
The InChIKey is QMAPVGORDPELCM-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H12N2OS4.2Na/c10-5(11)7-1-3-9-4-2-8-6(12)13;;/h1-4H2,(H2,7,10,11)(H2,8,12,13);;/q;2*+1/p-2.
What are the key properties of disodium;N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate?
disodium;N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate has a molecular weight of 300.41 g/mol, XLogP of -6.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate is sourced from PubChem (CID 88755545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).