N-[(Z)-hex-4-enyl]thiohydroxylamine

C6H13NS — CID 126548929

IUPACN-[(Z)-hex-4-enyl]thiohydroxylamine
SMILESC/C=C\CCCNS
InChIInChI=1S/C6H13NS/c1-2-3-4-5-6-7-8/h2-3,7-8H,4-6H2,1H3/b3-2-
InChIKeyYKKQHLFVBFPGIH-IHWYPQMZSA-N
MW131.24 g/mol
LogP1.78
Rot. Bonds4

About N-[(Z)-hex-4-enyl]thiohydroxylamine

N-[(Z)-hex-4-enyl]thiohydroxylamine (PubChem CID 126548929) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is N-[(Z)-hex-4-enyl]thiohydroxylamine.

Molecular Properties

Compound NameN-[(Z)-hex-4-enyl]thiohydroxylamine
PubChem CID126548929
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC NameN-[(Z)-hex-4-enyl]thiohydroxylamine
SMILESC/C=C\CCCNS
InChIInChI=1S/C6H13NS/c1-2-3-4-5-6-7-8/h2-3,7-8H,4-6H2,1H3/b3-2-
InChIKeyYKKQHLFVBFPGIH-IHWYPQMZSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hentriaconta-2,10,29-triene
CID 150025785
bis(dodeca-2,10-diene);methane
CID 159815244
icosa-2,10,18-triene
CID 74063823
(Z)-hept-5-enal
CID 12625719
(E)-N-methyloct-6-en-1-amine
CID 55287936
dec-8-ene-1-thiol
CID 90992267
(E)-tetradec-12-enal
CID 5353009
(Z)-N-ethylundec-9-en-1-amine
CID 144898184
undeca-4,9-dienal
CID 72565371
(Z)-oct-2-ene
CID 5356796
(2E,6Z,10E)-dodeca-2,6,10-triene
CID 12503721
(2E,6E,10E,14E,18E,22E)-tetracosa-2,6,10,14,18,22-hexaene
CID 57417215

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-hex-4-enyl]thiohydroxylamine?
The IUPAC name of N-[(Z)-hex-4-enyl]thiohydroxylamine (CID 126548929) is N-[(Z)-hex-4-enyl]thiohydroxylamine.
What is the SMILES notation for N-[(Z)-hex-4-enyl]thiohydroxylamine?
The canonical SMILES for N-[(Z)-hex-4-enyl]thiohydroxylamine is C/C=C\CCCNS.
What is the InChIKey of N-[(Z)-hex-4-enyl]thiohydroxylamine?
The InChIKey is YKKQHLFVBFPGIH-IHWYPQMZSA-N. The full InChI is InChI=1S/C6H13NS/c1-2-3-4-5-6-7-8/h2-3,7-8H,4-6H2,1H3/b3-2-.
What are the key properties of N-[(Z)-hex-4-enyl]thiohydroxylamine?
N-[(Z)-hex-4-enyl]thiohydroxylamine has a molecular weight of 131.24 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-hex-4-enyl]thiohydroxylamine is sourced from PubChem (CID 126548929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).