1-(2-iminopropyldisulfanyl)propan-2-imine

C6H12N2S2 — CID 122579168

IUPAC1-(2-iminopropyldisulfanyl)propan-2-imine
SMILES[H]/N=C(\C)CSSC/C(C)=N/[H]
InChIInChI=1S/C6H12N2S2/c1-5(7)3-9-10-4-6(2)8/h7-8H,3-4H2,1-2H3/b7-5+,8-6+
InChIKeyGZFWEYMFOZNOIX-KQQUZDAGSA-N
MW176.31 g/mol
LogP2.45
Rot. Bonds5

About 1-(2-iminopropyldisulfanyl)propan-2-imine

1-(2-iminopropyldisulfanyl)propan-2-imine (PubChem CID 122579168) has the molecular formula C6H12N2S2 and a molecular weight of 176.31 g/mol. Its IUPAC name is 1-(2-iminopropyldisulfanyl)propan-2-imine.

Molecular Properties

Compound Name1-(2-iminopropyldisulfanyl)propan-2-imine
PubChem CID122579168
Molecular FormulaC6H12N2S2
Molecular Weight176.31 g/mol
Exact Mass176.04
IUPAC Name1-(2-iminopropyldisulfanyl)propan-2-imine
SMILES[H]/N=C(\C)CSSC/C(C)=N/[H]
InChIInChI=1S/C6H12N2S2/c1-5(7)3-9-10-4-6(2)8/h7-8H,3-4H2,1-2H3/b7-5+,8-6+
InChIKeyGZFWEYMFOZNOIX-KQQUZDAGSA-N
XLogP2.45
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-iminopropyldisulfanyl)propan-2-imine?
The IUPAC name of 1-(2-iminopropyldisulfanyl)propan-2-imine (CID 122579168) is 1-(2-iminopropyldisulfanyl)propan-2-imine.
What is the SMILES notation for 1-(2-iminopropyldisulfanyl)propan-2-imine?
The canonical SMILES for 1-(2-iminopropyldisulfanyl)propan-2-imine is [H]/N=C(\C)CSSC/C(C)=N/[H].
What is the InChIKey of 1-(2-iminopropyldisulfanyl)propan-2-imine?
The InChIKey is GZFWEYMFOZNOIX-KQQUZDAGSA-N. The full InChI is InChI=1S/C6H12N2S2/c1-5(7)3-9-10-4-6(2)8/h7-8H,3-4H2,1-2H3/b7-5+,8-6+.
What are the key properties of 1-(2-iminopropyldisulfanyl)propan-2-imine?
1-(2-iminopropyldisulfanyl)propan-2-imine has a molecular weight of 176.31 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iminopropyldisulfanyl)propan-2-imine is sourced from PubChem (CID 122579168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).