N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]thiohydroxylamine

C7H11NS — CID 143724474

IUPACN-[(3E,5Z)-hepta-1,3,5-trien-4-yl]thiohydroxylamine
SMILESC=C/C=C(\C=C/C)NS
InChIInChI=1S/C7H11NS/c1-3-5-7(8-9)6-4-2/h3-6,8-9H,1H2,2H3/b6-4-,7-5+
InChIKeyXSYWDFWLNOVJPV-XGXWUAJZSA-N
MW141.24 g/mol
LogP2.07
Rot. Bonds3

About N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]thiohydroxylamine

N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]thiohydroxylamine (PubChem CID 143724474) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]thiohydroxylamine.

Molecular Properties

Compound NameN-[(3E,5Z)-hepta-1,3,5-trien-4-yl]thiohydroxylamine
PubChem CID143724474
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC NameN-[(3E,5Z)-hepta-1,3,5-trien-4-yl]thiohydroxylamine
SMILESC=C/C=C(\C=C/C)NS
InChIInChI=1S/C7H11NS/c1-3-5-7(8-9)6-4-2/h3-6,8-9H,1H2,2H3/b6-4-,7-5+
InChIKeyXSYWDFWLNOVJPV-XGXWUAJZSA-N
XLogP2.07
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E,5Z)-N-iodohepta-1,3,5-trien-4-amine
CID 144727165
ethane;[(3E,5Z)-hepta-1,3,5-trien-4-yl]hydrazine
CID 142089617
2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]ethanol
CID 142933959
(2E,4E)-4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]hepta-2,4,6-trien-2-ol
CID 146261857
(3Z,5Z)-hepta-1,3,5-trien-4-amine
CID 171106725
N,N-dimethylmethanamine;(3E,5Z)-hepta-1,3,5-trien-4-amine
CID 144734718
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]urea
CID 166820830
(2E,3E)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienamide
CID 143020297
N,N-dimethylhepta-1,3,5-trien-4-amine
CID 72511358
butan-2-one;ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]formamide
CID 142225178
4-bromo-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]aniline;ethane
CID 142614749
(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
CID 87112963

Frequently Asked Questions

What is the IUPAC name of N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]thiohydroxylamine?
The IUPAC name of N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]thiohydroxylamine (CID 143724474) is N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]thiohydroxylamine.
What is the SMILES notation for N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]thiohydroxylamine?
The canonical SMILES for N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]thiohydroxylamine is C=C/C=C(\C=C/C)NS.
What is the InChIKey of N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]thiohydroxylamine?
The InChIKey is XSYWDFWLNOVJPV-XGXWUAJZSA-N. The full InChI is InChI=1S/C7H11NS/c1-3-5-7(8-9)6-4-2/h3-6,8-9H,1H2,2H3/b6-4-,7-5+.
What are the key properties of N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]thiohydroxylamine?
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]thiohydroxylamine has a molecular weight of 141.24 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]thiohydroxylamine is sourced from PubChem (CID 143724474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).