(E)-1,1-bis(ethylsulfanyl)hex-2-ene

C10H20S2 — CID 11735866

IUPAC(E)-1,1-bis(ethylsulfanyl)hex-2-ene
SMILESCCC/C=C/C(SCC)SCC
InChIInChI=1S/C10H20S2/c1-4-7-8-9-10(11-5-2)12-6-3/h8-10H,4-7H2,1-3H3/b9-8+
InChIKeyJASIFHQVFZBHOP-CMDGGOBGSA-N
MW204.40 g/mol
LogP4.18
Rot. Bonds7

About (E)-1,1-bis(ethylsulfanyl)hex-2-ene

(E)-1,1-bis(ethylsulfanyl)hex-2-ene (PubChem CID 11735866) has the molecular formula C10H20S2 and a molecular weight of 204.40 g/mol. Its IUPAC name is (E)-1,1-bis(ethylsulfanyl)hex-2-ene.

Molecular Properties

Compound Name(E)-1,1-bis(ethylsulfanyl)hex-2-ene
PubChem CID11735866
Molecular FormulaC10H20S2
Molecular Weight204.40 g/mol
Exact Mass204.10
IUPAC Name(E)-1,1-bis(ethylsulfanyl)hex-2-ene
SMILESCCC/C=C/C(SCC)SCC
InChIInChI=1S/C10H20S2/c1-4-7-8-9-10(11-5-2)12-6-3/h8-10H,4-7H2,1-3H3/b9-8+
InChIKeyJASIFHQVFZBHOP-CMDGGOBGSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.40
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(Hex-2-enyldisulfanyl)hex-2-ene
CID 149911294
(E)-1-[[(E)-hex-2-enyl]disulfanyl]hex-2-ene
CID 101950021
(E)-4-[[(E)-hex-4-en-3-yl]disulfanyl]hex-2-ene
CID 129712290
(E)-1-methylsulfanylhept-2-ene
CID 13215828
(Z)-7-methylsulfanyl-hept-3-ene
CID 13527978
(E)-1-methylsulfanylhept-3-ene
CID 14024901
(E)-1-methylsulfanyloct-3-ene
CID 14024902
3-Ethylthio-3-hexene
CID 15905675
1-Propenylpropylsulphide
CID 53869957
e-1-Propenylpropyltrisulphide
CID 129691408
z-1-Propenylpropyltrisulphide
CID 129691411
1-Propenylpropyl trisulfide
CID 140067024

Frequently Asked Questions

What is the IUPAC name of (E)-1,1-bis(ethylsulfanyl)hex-2-ene?
The IUPAC name of (E)-1,1-bis(ethylsulfanyl)hex-2-ene (CID 11735866) is (E)-1,1-bis(ethylsulfanyl)hex-2-ene.
What is the SMILES notation for (E)-1,1-bis(ethylsulfanyl)hex-2-ene?
The canonical SMILES for (E)-1,1-bis(ethylsulfanyl)hex-2-ene is CCC/C=C/C(SCC)SCC.
What is the InChIKey of (E)-1,1-bis(ethylsulfanyl)hex-2-ene?
The InChIKey is JASIFHQVFZBHOP-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H20S2/c1-4-7-8-9-10(11-5-2)12-6-3/h8-10H,4-7H2,1-3H3/b9-8+.
What are the key properties of (E)-1,1-bis(ethylsulfanyl)hex-2-ene?
(E)-1,1-bis(ethylsulfanyl)hex-2-ene has a molecular weight of 204.40 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1-bis(ethylsulfanyl)hex-2-ene is sourced from PubChem (CID 11735866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).