(E)-1-ethylsulfanyl-2-iodohex-1-ene

C8H15IS — CID 102430742

IUPAC(E)-1-ethylsulfanyl-2-iodohex-1-ene
SMILESCCCC/C(I)=C\SCC
InChIInChI=1S/C8H15IS/c1-3-5-6-8(9)7-10-4-2/h7H,3-6H2,1-2H3/b8-7+
InChIKeyKUNVCTDXNILOER-BQYQJAHWSA-N
MW270.18 g/mol
LogP4.21
Rot. Bonds5

About (E)-1-ethylsulfanyl-2-iodohex-1-ene

(E)-1-ethylsulfanyl-2-iodohex-1-ene (PubChem CID 102430742) has the molecular formula C8H15IS and a molecular weight of 270.18 g/mol. Its IUPAC name is (E)-1-ethylsulfanyl-2-iodohex-1-ene.

Molecular Properties

Compound Name(E)-1-ethylsulfanyl-2-iodohex-1-ene
PubChem CID102430742
Molecular FormulaC8H15IS
Molecular Weight270.18 g/mol
Exact Mass269.99
IUPAC Name(E)-1-ethylsulfanyl-2-iodohex-1-ene
SMILESCCCC/C(I)=C\SCC
InChIInChI=1S/C8H15IS/c1-3-5-6-8(9)7-10-4-2/h7H,3-6H2,1-2H3/b8-7+
InChIKeyKUNVCTDXNILOER-BQYQJAHWSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.18
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-ethylsulfanyl-2-iodohex-1-ene?
The IUPAC name of (E)-1-ethylsulfanyl-2-iodohex-1-ene (CID 102430742) is (E)-1-ethylsulfanyl-2-iodohex-1-ene.
What is the SMILES notation for (E)-1-ethylsulfanyl-2-iodohex-1-ene?
The canonical SMILES for (E)-1-ethylsulfanyl-2-iodohex-1-ene is CCCC/C(I)=C\SCC.
What is the InChIKey of (E)-1-ethylsulfanyl-2-iodohex-1-ene?
The InChIKey is KUNVCTDXNILOER-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H15IS/c1-3-5-6-8(9)7-10-4-2/h7H,3-6H2,1-2H3/b8-7+.
What are the key properties of (E)-1-ethylsulfanyl-2-iodohex-1-ene?
(E)-1-ethylsulfanyl-2-iodohex-1-ene has a molecular weight of 270.18 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-ethylsulfanyl-2-iodohex-1-ene is sourced from PubChem (CID 102430742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).