[(3E,5Z)-hepta-1,3,5-trien-3-yl] thiohypochlorite

C7H9ClS — CID 143926212

IUPAC[(3E,5Z)-hepta-1,3,5-trien-3-yl] thiohypochlorite
SMILESC=C/C(=C\C=C/C)SCl
InChIInChI=1S/C7H9ClS/c1-3-5-6-7(4-2)9-8/h3-6H,2H2,1H3/b5-3-,7-6+
InChIKeyVSEZBBYIGNHULG-AIJKMKQJSA-N
MW160.67 g/mol
LogP3.52
Rot. Bonds3

About [(3E,5Z)-hepta-1,3,5-trien-3-yl] thiohypochlorite

[(3E,5Z)-hepta-1,3,5-trien-3-yl] thiohypochlorite (PubChem CID 143926212) has the molecular formula C7H9ClS and a molecular weight of 160.67 g/mol. Its IUPAC name is [(3E,5Z)-hepta-1,3,5-trien-3-yl] thiohypochlorite.

Molecular Properties

Compound Name[(3E,5Z)-hepta-1,3,5-trien-3-yl] thiohypochlorite
PubChem CID143926212
Molecular FormulaC7H9ClS
Molecular Weight160.67 g/mol
Exact Mass160.01
IUPAC Name[(3E,5Z)-hepta-1,3,5-trien-3-yl] thiohypochlorite
SMILESC=C/C(=C\C=C/C)SCl
InChIInChI=1S/C7H9ClS/c1-3-5-6-7(4-2)9-8/h3-6H,2H2,1H3/b5-3-,7-6+
InChIKeyVSEZBBYIGNHULG-AIJKMKQJSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.67
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E,5Z)-3-methylsulfanylhepta-1,3,5-triene
CID 89470385
ethane;(3E,5E)-3-methylsulfanylhepta-1,3,5-triene
CID 142207373
ethane;(5E)-3-ethenylhepta-1,3,5-triene
CID 143978470
[(2E,4Z)-2-ethenylhexa-2,4-dienyl] thiohypochlorite
CID 153339188
[[(3E,5Z)-hepta-1,3,5-trien-3-yl]disulfanyl]benzene
CID 142317900
ethyl 2-hepta-1,3,5-trien-3-ylsulfanylacetate
CID 91552575
(3E,5Z)-3-iodohepta-1,3,5-triene
CID 89257521
6-[[(3E,5E)-hepta-1,3,5-trien-3-yl]sulfanylamino]hexan-1-ol
CID 135193060
(2Z,4E,6Z)-4-methylsulfanylocta-2,4,6-triene
CID 126714588
(3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane
CID 142141594
(2Z,4Z)-2-ethenylhexa-2,4-dien-1-imine
CID 156799789
(3E,5Z,7Z)-4-ethenylnona-1,3,5,7-tetraene
CID 155698578

Frequently Asked Questions

What is the IUPAC name of [(3E,5Z)-hepta-1,3,5-trien-3-yl] thiohypochlorite?
The IUPAC name of [(3E,5Z)-hepta-1,3,5-trien-3-yl] thiohypochlorite (CID 143926212) is [(3E,5Z)-hepta-1,3,5-trien-3-yl] thiohypochlorite.
What is the SMILES notation for [(3E,5Z)-hepta-1,3,5-trien-3-yl] thiohypochlorite?
The canonical SMILES for [(3E,5Z)-hepta-1,3,5-trien-3-yl] thiohypochlorite is C=C/C(=C\C=C/C)SCl.
What is the InChIKey of [(3E,5Z)-hepta-1,3,5-trien-3-yl] thiohypochlorite?
The InChIKey is VSEZBBYIGNHULG-AIJKMKQJSA-N. The full InChI is InChI=1S/C7H9ClS/c1-3-5-6-7(4-2)9-8/h3-6H,2H2,1H3/b5-3-,7-6+.
What are the key properties of [(3E,5Z)-hepta-1,3,5-trien-3-yl] thiohypochlorite?
[(3E,5Z)-hepta-1,3,5-trien-3-yl] thiohypochlorite has a molecular weight of 160.67 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-hepta-1,3,5-trien-3-yl] thiohypochlorite is sourced from PubChem (CID 143926212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).