N-(4-ethenyliminohex-5-enyl)thiohydroxylamine

C8H14N2S — CID 142295380

IUPACN-(4-ethenyliminohex-5-enyl)thiohydroxylamine
SMILESC=C/N=C(\C=C)CCCNS
InChIInChI=1S/C8H14N2S/c1-3-8(9-4-2)6-5-7-10-11/h3-4,10-11H,1-2,5-7H2/b9-8+
InChIKeyIRPDUVMRRGMJBO-CMDGGOBGSA-N
MW170.28 g/mol
LogP1.97
Rot. Bonds6

About N-(4-ethenyliminohex-5-enyl)thiohydroxylamine

N-(4-ethenyliminohex-5-enyl)thiohydroxylamine (PubChem CID 142295380) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is N-(4-ethenyliminohex-5-enyl)thiohydroxylamine.

Molecular Properties

Compound NameN-(4-ethenyliminohex-5-enyl)thiohydroxylamine
PubChem CID142295380
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC NameN-(4-ethenyliminohex-5-enyl)thiohydroxylamine
SMILESC=C/N=C(\C=C)CCCNS
InChIInChI=1S/C8H14N2S/c1-3-8(9-4-2)6-5-7-10-11/h3-4,10-11H,1-2,5-7H2/b9-8+
InChIKeyIRPDUVMRRGMJBO-CMDGGOBGSA-N
XLogP1.97
TPSA24.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethenyliminohex-5-enyl)thiohydroxylamine?
The IUPAC name of N-(4-ethenyliminohex-5-enyl)thiohydroxylamine (CID 142295380) is N-(4-ethenyliminohex-5-enyl)thiohydroxylamine.
What is the SMILES notation for N-(4-ethenyliminohex-5-enyl)thiohydroxylamine?
The canonical SMILES for N-(4-ethenyliminohex-5-enyl)thiohydroxylamine is C=C/N=C(\C=C)CCCNS.
What is the InChIKey of N-(4-ethenyliminohex-5-enyl)thiohydroxylamine?
The InChIKey is IRPDUVMRRGMJBO-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H14N2S/c1-3-8(9-4-2)6-5-7-10-11/h3-4,10-11H,1-2,5-7H2/b9-8+.
What are the key properties of N-(4-ethenyliminohex-5-enyl)thiohydroxylamine?
N-(4-ethenyliminohex-5-enyl)thiohydroxylamine has a molecular weight of 170.28 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethenyliminohex-5-enyl)thiohydroxylamine is sourced from PubChem (CID 142295380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).