[(2E,4Z)-2-ethenylhexa-2,4-dienyl] thiohypochlorite

C8H11ClS — CID 153339188

IUPAC[(2E,4Z)-2-ethenylhexa-2,4-dienyl] thiohypochlorite
SMILESC=C/C(=C\C=C/C)CSCl
InChIInChI=1S/C8H11ClS/c1-3-5-6-8(4-2)7-10-9/h3-6H,2,7H2,1H3/b5-3-,8-6+
InChIKeyIRFFVSANHVILFU-CUKJDEOPSA-N
MW174.70 g/mol
LogP3.56
Rot. Bonds4

About [(2E,4Z)-2-ethenylhexa-2,4-dienyl] thiohypochlorite

[(2E,4Z)-2-ethenylhexa-2,4-dienyl] thiohypochlorite (PubChem CID 153339188) has the molecular formula C8H11ClS and a molecular weight of 174.70 g/mol. Its IUPAC name is [(2E,4Z)-2-ethenylhexa-2,4-dienyl] thiohypochlorite.

Molecular Properties

Compound Name[(2E,4Z)-2-ethenylhexa-2,4-dienyl] thiohypochlorite
PubChem CID153339188
Molecular FormulaC8H11ClS
Molecular Weight174.70 g/mol
Exact Mass174.03
IUPAC Name[(2E,4Z)-2-ethenylhexa-2,4-dienyl] thiohypochlorite
SMILESC=C/C(=C\C=C/C)CSCl
InChIInChI=1S/C8H11ClS/c1-3-5-6-8(4-2)7-10-9/h3-6H,2,7H2,1H3/b5-3-,8-6+
InChIKeyIRFFVSANHVILFU-CUKJDEOPSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.70
LogP ≤ 53.56
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

ethane;(2E,4Z)-2-ethenylhexa-2,4-dien-1-amine
CID 143793219
(3Z,5Z)-3-ethenylhepta-3,5-dien-1-amine
CID 88579233
[(3E,5Z)-hepta-1,3,5-trien-3-yl] thiohypochlorite
CID 143926212
ethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]piperidine
CID 166529175
[(2E,4Z)-2-ethenylhexa-2,4-dienyl] formate
CID 89020772
(3Z,5E)-N,N'-diamino-3-ethenylhepta-3,5-dienimidamide
CID 89129521
ethane;(5E)-3-ethenylhepta-1,3,5-triene
CID 143978470
(3E,5Z)-3-methylsulfanylhepta-1,3,5-triene
CID 89470385
(6Z,8Z)-4-amino-6-ethenyl-2-methyldeca-6,8-dien-3-one
CID 153342117
(3Z,8Z,10Z)-8-ethenyl-6-methylidene-5-propan-2-ylidenedodeca-1,3,8,10-tetraene
CID 177318715
(3E,7Z,9Z)-7-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]undeca-1,3,7,9-tetraene
CID 143216884
(6Z,8Z)-6-ethenyl-N-methyl-3-propan-2-ylidenedeca-6,8-dien-2-imine
CID 142134372

Frequently Asked Questions

What is the IUPAC name of [(2E,4Z)-2-ethenylhexa-2,4-dienyl] thiohypochlorite?
The IUPAC name of [(2E,4Z)-2-ethenylhexa-2,4-dienyl] thiohypochlorite (CID 153339188) is [(2E,4Z)-2-ethenylhexa-2,4-dienyl] thiohypochlorite.
What is the SMILES notation for [(2E,4Z)-2-ethenylhexa-2,4-dienyl] thiohypochlorite?
The canonical SMILES for [(2E,4Z)-2-ethenylhexa-2,4-dienyl] thiohypochlorite is C=C/C(=C\C=C/C)CSCl.
What is the InChIKey of [(2E,4Z)-2-ethenylhexa-2,4-dienyl] thiohypochlorite?
The InChIKey is IRFFVSANHVILFU-CUKJDEOPSA-N. The full InChI is InChI=1S/C8H11ClS/c1-3-5-6-8(4-2)7-10-9/h3-6H,2,7H2,1H3/b5-3-,8-6+.
What are the key properties of [(2E,4Z)-2-ethenylhexa-2,4-dienyl] thiohypochlorite?
[(2E,4Z)-2-ethenylhexa-2,4-dienyl] thiohypochlorite has a molecular weight of 174.70 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4Z)-2-ethenylhexa-2,4-dienyl] thiohypochlorite is sourced from PubChem (CID 153339188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).