[C-(ethanimidoyldisulfanyl)carbonimidoyl] ethanimidothioate

C5H9N3S3 — CID 121429148

IUPAC[C-(ethanimidoyldisulfanyl)carbonimidoyl] ethanimidothioate
SMILES[H]/N=C(\SS/C(C)=N/[H])S/C(C)=N/[H]
InChIInChI=1S/C5H9N3S3/c1-3(6)9-5(8)11-10-4(2)7/h6-8H,1-2H3/b6-3+,7-4+,8-5-
InChIKeyBGKFALVPKDAGBK-OEHYNRAKSA-N
MW207.35 g/mol
LogP3.03
Rot. Bonds

About [C-(ethanimidoyldisulfanyl)carbonimidoyl] ethanimidothioate

[C-(ethanimidoyldisulfanyl)carbonimidoyl] ethanimidothioate (PubChem CID 121429148) has the molecular formula C5H9N3S3 and a molecular weight of 207.35 g/mol. Its IUPAC name is [C-(ethanimidoyldisulfanyl)carbonimidoyl] ethanimidothioate.

Molecular Properties

Compound Name[C-(ethanimidoyldisulfanyl)carbonimidoyl] ethanimidothioate
PubChem CID121429148
Molecular FormulaC5H9N3S3
Molecular Weight207.35 g/mol
Exact Mass207.00
IUPAC Name[C-(ethanimidoyldisulfanyl)carbonimidoyl] ethanimidothioate
SMILES[H]/N=C(\SS/C(C)=N/[H])S/C(C)=N/[H]
InChIInChI=1S/C5H9N3S3/c1-3(6)9-5(8)11-10-4(2)7/h6-8H,1-2H3/b6-3+,7-4+,8-5-
InChIKeyBGKFALVPKDAGBK-OEHYNRAKSA-N
XLogP3.03
TPSA71.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.35
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [C-(ethanimidoyldisulfanyl)carbonimidoyl] ethanimidothioate?
The IUPAC name of [C-(ethanimidoyldisulfanyl)carbonimidoyl] ethanimidothioate (CID 121429148) is [C-(ethanimidoyldisulfanyl)carbonimidoyl] ethanimidothioate.
What is the SMILES notation for [C-(ethanimidoyldisulfanyl)carbonimidoyl] ethanimidothioate?
The canonical SMILES for [C-(ethanimidoyldisulfanyl)carbonimidoyl] ethanimidothioate is [H]/N=C(\SS/C(C)=N/[H])S/C(C)=N/[H].
What is the InChIKey of [C-(ethanimidoyldisulfanyl)carbonimidoyl] ethanimidothioate?
The InChIKey is BGKFALVPKDAGBK-OEHYNRAKSA-N. The full InChI is InChI=1S/C5H9N3S3/c1-3(6)9-5(8)11-10-4(2)7/h6-8H,1-2H3/b6-3+,7-4+,8-5-.
What are the key properties of [C-(ethanimidoyldisulfanyl)carbonimidoyl] ethanimidothioate?
[C-(ethanimidoyldisulfanyl)carbonimidoyl] ethanimidothioate has a molecular weight of 207.35 g/mol, XLogP of 3.03, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [C-(ethanimidoyldisulfanyl)carbonimidoyl] ethanimidothioate is sourced from PubChem (CID 121429148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).