ethanimidoylsulfanyl ethanimidothioate

C4H8N2S2 — CID 71335980

IUPACethanimidoylsulfanyl ethanimidothioate
SMILES[H]/N=C(\C)SS/C(C)=N/[H]
InChIInChI=1S/C4H8N2S2/c1-3(5)7-8-4(2)6/h5-6H,1-2H3/b5-3+,6-4+
InChIKeyNURUNNDOXJWTOM-GGWOSOGESA-N
MW148.26 g/mol
LogP2.36
Rot. Bonds

About ethanimidoylsulfanyl ethanimidothioate

ethanimidoylsulfanyl ethanimidothioate (PubChem CID 71335980) has the molecular formula C4H8N2S2 and a molecular weight of 148.26 g/mol. Its IUPAC name is ethanimidoylsulfanyl ethanimidothioate.

Molecular Properties

Compound Nameethanimidoylsulfanyl ethanimidothioate
PubChem CID71335980
Molecular FormulaC4H8N2S2
Molecular Weight148.26 g/mol
Exact Mass148.01
IUPAC Nameethanimidoylsulfanyl ethanimidothioate
SMILES[H]/N=C(\C)SS/C(C)=N/[H]
InChIInChI=1S/C4H8N2S2/c1-3(5)7-8-4(2)6/h5-6H,1-2H3/b5-3+,6-4+
InChIKeyNURUNNDOXJWTOM-GGWOSOGESA-N
XLogP2.36
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.26
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

Propanimidoylsulfanyl propanimidothioate
CID 87580504
[C-(ethanimidoyldisulfanyl)carbonimidoyl] ethanimidothioate
CID 121429148

Frequently Asked Questions

What is the IUPAC name of ethanimidoylsulfanyl ethanimidothioate?
The IUPAC name of ethanimidoylsulfanyl ethanimidothioate (CID 71335980) is ethanimidoylsulfanyl ethanimidothioate.
What is the SMILES notation for ethanimidoylsulfanyl ethanimidothioate?
The canonical SMILES for ethanimidoylsulfanyl ethanimidothioate is [H]/N=C(\C)SS/C(C)=N/[H].
What is the InChIKey of ethanimidoylsulfanyl ethanimidothioate?
The InChIKey is NURUNNDOXJWTOM-GGWOSOGESA-N. The full InChI is InChI=1S/C4H8N2S2/c1-3(5)7-8-4(2)6/h5-6H,1-2H3/b5-3+,6-4+.
What are the key properties of ethanimidoylsulfanyl ethanimidothioate?
ethanimidoylsulfanyl ethanimidothioate has a molecular weight of 148.26 g/mol, XLogP of 2.36, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanimidoylsulfanyl ethanimidothioate is sourced from PubChem (CID 71335980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).