(E)-1-chloro-2-methylsulfanylprop-1-ene

C4H7ClS — CID 134932393

IUPAC(E)-1-chloro-2-methylsulfanylprop-1-ene
SMILESCS/C(C)=C/Cl
InChIInChI=1S/C4H7ClS/c1-4(3-5)6-2/h3H,1-2H3/b4-3+
InChIKeyRLMNHJVYAASWLF-ONEGZZNKSA-N
MW122.62 g/mol
LogP2.45
Rot. Bonds1

About (E)-1-chloro-2-methylsulfanylprop-1-ene

(E)-1-chloro-2-methylsulfanylprop-1-ene (PubChem CID 134932393) has the molecular formula C4H7ClS and a molecular weight of 122.62 g/mol. Its IUPAC name is (E)-1-chloro-2-methylsulfanylprop-1-ene.

Molecular Properties

Compound Name(E)-1-chloro-2-methylsulfanylprop-1-ene
PubChem CID134932393
Molecular FormulaC4H7ClS
Molecular Weight122.62 g/mol
Exact Mass122.00
IUPAC Name(E)-1-chloro-2-methylsulfanylprop-1-ene
SMILESCS/C(C)=C/Cl
InChIInChI=1S/C4H7ClS/c1-4(3-5)6-2/h3H,1-2H3/b4-3+
InChIKeyRLMNHJVYAASWLF-ONEGZZNKSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-chloro-2-methylsulfanylprop-1-ene?
The IUPAC name of (E)-1-chloro-2-methylsulfanylprop-1-ene (CID 134932393) is (E)-1-chloro-2-methylsulfanylprop-1-ene.
What is the SMILES notation for (E)-1-chloro-2-methylsulfanylprop-1-ene?
The canonical SMILES for (E)-1-chloro-2-methylsulfanylprop-1-ene is CS/C(C)=C/Cl.
What is the InChIKey of (E)-1-chloro-2-methylsulfanylprop-1-ene?
The InChIKey is RLMNHJVYAASWLF-ONEGZZNKSA-N. The full InChI is InChI=1S/C4H7ClS/c1-4(3-5)6-2/h3H,1-2H3/b4-3+.
What are the key properties of (E)-1-chloro-2-methylsulfanylprop-1-ene?
(E)-1-chloro-2-methylsulfanylprop-1-ene has a molecular weight of 122.62 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chloro-2-methylsulfanylprop-1-ene is sourced from PubChem (CID 134932393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).