(E)-1-bromo-3-ethyl-1-methylsulfanylhept-1-ene

C10H19BrS — CID 11322689

IUPAC(E)-1-bromo-3-ethyl-1-methylsulfanylhept-1-ene
SMILESCCCCC(/C=C(/Br)SC)CC
InChIInChI=1S/C10H19BrS/c1-4-6-7-9(5-2)8-10(11)12-3/h8-9H,4-7H2,1-3H3/b10-8-
InChIKeyHNEPXJGVBNNLRN-NTMALXAHSA-N
MW251.23 g/mol
LogP4.80
Rot. Bonds6

About (E)-1-bromo-3-ethyl-1-methylsulfanylhept-1-ene

(E)-1-bromo-3-ethyl-1-methylsulfanylhept-1-ene (PubChem CID 11322689) has the molecular formula C10H19BrS and a molecular weight of 251.23 g/mol. Its IUPAC name is (E)-1-bromo-3-ethyl-1-methylsulfanylhept-1-ene.

Molecular Properties

Compound Name(E)-1-bromo-3-ethyl-1-methylsulfanylhept-1-ene
PubChem CID11322689
Molecular FormulaC10H19BrS
Molecular Weight251.23 g/mol
Exact Mass250.04
IUPAC Name(E)-1-bromo-3-ethyl-1-methylsulfanylhept-1-ene
SMILESCCCCC(/C=C(/Br)SC)CC
InChIInChI=1S/C10H19BrS/c1-4-6-7-9(5-2)8-10(11)12-3/h8-9H,4-7H2,1-3H3/b10-8-
InChIKeyHNEPXJGVBNNLRN-NTMALXAHSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (E)-1-bromo-3-ethyl-1-methylsulfanylhept-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-bromo-3-ethyl-1-methylsulfanylhept-1-ene?
The IUPAC name of (E)-1-bromo-3-ethyl-1-methylsulfanylhept-1-ene (CID 11322689) is (E)-1-bromo-3-ethyl-1-methylsulfanylhept-1-ene.
What is the SMILES notation for (E)-1-bromo-3-ethyl-1-methylsulfanylhept-1-ene?
The canonical SMILES for (E)-1-bromo-3-ethyl-1-methylsulfanylhept-1-ene is CCCCC(/C=C(/Br)SC)CC.
What is the InChIKey of (E)-1-bromo-3-ethyl-1-methylsulfanylhept-1-ene?
The InChIKey is HNEPXJGVBNNLRN-NTMALXAHSA-N. The full InChI is InChI=1S/C10H19BrS/c1-4-6-7-9(5-2)8-10(11)12-3/h8-9H,4-7H2,1-3H3/b10-8-.
What are the key properties of (E)-1-bromo-3-ethyl-1-methylsulfanylhept-1-ene?
(E)-1-bromo-3-ethyl-1-methylsulfanylhept-1-ene has a molecular weight of 251.23 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-bromo-3-ethyl-1-methylsulfanylhept-1-ene is sourced from PubChem (CID 11322689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).