(E)-1-chloro-2-ethylsulfanylethene

C4H7ClS — CID 131242842

IUPAC(E)-1-chloro-2-ethylsulfanylethene
SMILESCCS/C=C/Cl
InChIInChI=1S/C4H7ClS/c1-2-6-4-3-5/h3-4H,2H2,1H3/b4-3+
InChIKeyUIRMKTPTPVGOAI-ONEGZZNKSA-N
MW122.62 g/mol
LogP2.45
Rot. Bonds2

About (E)-1-chloro-2-ethylsulfanylethene

(E)-1-chloro-2-ethylsulfanylethene (PubChem CID 131242842) has the molecular formula C4H7ClS and a molecular weight of 122.62 g/mol. Its IUPAC name is (E)-1-chloro-2-ethylsulfanylethene.

Molecular Properties

Compound Name(E)-1-chloro-2-ethylsulfanylethene
PubChem CID131242842
Molecular FormulaC4H7ClS
Molecular Weight122.62 g/mol
Exact Mass122.00
IUPAC Name(E)-1-chloro-2-ethylsulfanylethene
SMILESCCS/C=C/Cl
InChIInChI=1S/C4H7ClS/c1-2-6-4-3-5/h3-4H,2H2,1H3/b4-3+
InChIKeyUIRMKTPTPVGOAI-ONEGZZNKSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.62
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (E)-1-chloro-2-ethylsulfanylethene 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-chloro-2-ethylsulfanylethene?
The IUPAC name of (E)-1-chloro-2-ethylsulfanylethene (CID 131242842) is (E)-1-chloro-2-ethylsulfanylethene.
What is the SMILES notation for (E)-1-chloro-2-ethylsulfanylethene?
The canonical SMILES for (E)-1-chloro-2-ethylsulfanylethene is CCS/C=C/Cl.
What is the InChIKey of (E)-1-chloro-2-ethylsulfanylethene?
The InChIKey is UIRMKTPTPVGOAI-ONEGZZNKSA-N. The full InChI is InChI=1S/C4H7ClS/c1-2-6-4-3-5/h3-4H,2H2,1H3/b4-3+.
What are the key properties of (E)-1-chloro-2-ethylsulfanylethene?
(E)-1-chloro-2-ethylsulfanylethene has a molecular weight of 122.62 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chloro-2-ethylsulfanylethene is sourced from PubChem (CID 131242842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).