pentanimidoylsulfanyl hexanimidothioate

C11H22N2S2 — CID 155260657

IUPACpentanimidoylsulfanyl hexanimidothioate
SMILES[H]/N=C(\CCCC)SS/C(CCCCC)=N/[H]
InChIInChI=1S/C11H22N2S2/c1-3-5-7-9-11(13)15-14-10(12)8-6-4-2/h12-13H,3-9H2,1-2H3/b12-10+,13-11+
InChIKeyUQKDTVHFVMMMBD-DCIPZJNNSA-N
MW246.44 g/mol
LogP5.09
Rot. Bonds7

About pentanimidoylsulfanyl hexanimidothioate

pentanimidoylsulfanyl hexanimidothioate (PubChem CID 155260657) has the molecular formula C11H22N2S2 and a molecular weight of 246.44 g/mol. Its IUPAC name is pentanimidoylsulfanyl hexanimidothioate.

Molecular Properties

Compound Namepentanimidoylsulfanyl hexanimidothioate
PubChem CID155260657
Molecular FormulaC11H22N2S2
Molecular Weight246.44 g/mol
Exact Mass246.12
IUPAC Namepentanimidoylsulfanyl hexanimidothioate
SMILES[H]/N=C(\CCCC)SS/C(CCCCC)=N/[H]
InChIInChI=1S/C11H22N2S2/c1-3-5-7-9-11(13)15-14-10(12)8-6-4-2/h12-13H,3-9H2,1-2H3/b12-10+,13-11+
InChIKeyUQKDTVHFVMMMBD-DCIPZJNNSA-N
XLogP5.09
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 55.09
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'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pentanimidoylsulfanyl hexanimidothioate?
The IUPAC name of pentanimidoylsulfanyl hexanimidothioate (CID 155260657) is pentanimidoylsulfanyl hexanimidothioate.
What is the SMILES notation for pentanimidoylsulfanyl hexanimidothioate?
The canonical SMILES for pentanimidoylsulfanyl hexanimidothioate is [H]/N=C(\CCCC)SS/C(CCCCC)=N/[H].
What is the InChIKey of pentanimidoylsulfanyl hexanimidothioate?
The InChIKey is UQKDTVHFVMMMBD-DCIPZJNNSA-N. The full InChI is InChI=1S/C11H22N2S2/c1-3-5-7-9-11(13)15-14-10(12)8-6-4-2/h12-13H,3-9H2,1-2H3/b12-10+,13-11+.
What are the key properties of pentanimidoylsulfanyl hexanimidothioate?
pentanimidoylsulfanyl hexanimidothioate has a molecular weight of 246.44 g/mol, XLogP of 5.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentanimidoylsulfanyl hexanimidothioate is sourced from PubChem (CID 155260657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).