(1Z,3E)-1-ethylsulfanylhexa-1,3-diene

C8H14S — CID 134981032

IUPAC(1Z,3E)-1-ethylsulfanylhexa-1,3-diene
SMILESCC/C=C/C=C\SCC
InChIInChI=1S/C8H14S/c1-3-5-6-7-8-9-4-2/h5-8H,3-4H2,1-2H3/b6-5+,8-7-
InChIKeyDLXYRXDDFVFBHU-MDAAKZFYSA-N
MW142.27 g/mol
LogP3.22
Rot. Bonds4

About (1Z,3E)-1-ethylsulfanylhexa-1,3-diene

(1Z,3E)-1-ethylsulfanylhexa-1,3-diene (PubChem CID 134981032) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is (1Z,3E)-1-ethylsulfanylhexa-1,3-diene.

Molecular Properties

Compound Name(1Z,3E)-1-ethylsulfanylhexa-1,3-diene
PubChem CID134981032
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name(1Z,3E)-1-ethylsulfanylhexa-1,3-diene
SMILESCC/C=C/C=C\SCC
InChIInChI=1S/C8H14S/c1-3-5-6-7-8-9-4-2/h5-8H,3-4H2,1-2H3/b6-5+,8-7-
InChIKeyDLXYRXDDFVFBHU-MDAAKZFYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 53.22
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

2,3-Dihydrothiepine
CID 640540
2-methyl-(2H)-thiapyran
CID 527054
4-(Methylsulfanyl)-2-pentene
CID 534914
2-(Methylsulfanyl)cyclohepta-2,4,6-triene-1-thione
CID 2762530
6-ethyl-2H-thiopyran
CID 19737637
4-Ethylthiocyclopentadiene
CID 68403138
Di(1-cyclohepta-2,4,6-trienyl)sulfane
CID 86130057
Cyclopentadienylsulfide
CID 100951032
2-Ethyl-1-methylthiophen-1-ium
CID 138976345
9-Thiabicyclo(4.2.1)nona-2,4,7-triene
CID 142030
6-Fluoro-2,3-dihydrothionine
CID 91360454
5-Fluorohexa-1,3-dienyl(trimethyl)-lambda4-sulfane
CID 123645797

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-1-ethylsulfanylhexa-1,3-diene?
The IUPAC name of (1Z,3E)-1-ethylsulfanylhexa-1,3-diene (CID 134981032) is (1Z,3E)-1-ethylsulfanylhexa-1,3-diene.
What is the SMILES notation for (1Z,3E)-1-ethylsulfanylhexa-1,3-diene?
The canonical SMILES for (1Z,3E)-1-ethylsulfanylhexa-1,3-diene is CC/C=C/C=C\SCC.
What is the InChIKey of (1Z,3E)-1-ethylsulfanylhexa-1,3-diene?
The InChIKey is DLXYRXDDFVFBHU-MDAAKZFYSA-N. The full InChI is InChI=1S/C8H14S/c1-3-5-6-7-8-9-4-2/h5-8H,3-4H2,1-2H3/b6-5+,8-7-.
What are the key properties of (1Z,3E)-1-ethylsulfanylhexa-1,3-diene?
(1Z,3E)-1-ethylsulfanylhexa-1,3-diene has a molecular weight of 142.27 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-1-ethylsulfanylhexa-1,3-diene is sourced from PubChem (CID 134981032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).