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

C6H11ClS — CID 5352287

IUPAC(E)-1-chloro-2-propylsulfanylprop-1-ene
SMILESCCCS/C(C)=C/Cl
InChIInChI=1S/C6H11ClS/c1-3-4-8-6(2)5-7/h5H,3-4H2,1-2H3/b6-5+
InChIKeyIEONBOZHTJFRFQ-AATRIKPKSA-N
MW150.67 g/mol
LogP3.23
Rot. Bonds3

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

(E)-1-chloro-2-propylsulfanylprop-1-ene (PubChem CID 5352287) has the molecular formula C6H11ClS and a molecular weight of 150.67 g/mol. Its IUPAC name is (E)-1-chloro-2-propylsulfanylprop-1-ene.

Molecular Properties

Compound Name(E)-1-chloro-2-propylsulfanylprop-1-ene
PubChem CID5352287
Molecular FormulaC6H11ClS
Molecular Weight150.67 g/mol
Exact Mass150.03
IUPAC Name(E)-1-chloro-2-propylsulfanylprop-1-ene
SMILESCCCS/C(C)=C/Cl
InChIInChI=1S/C6H11ClS/c1-3-4-8-6(2)5-7/h5H,3-4H2,1-2H3/b6-5+
InChIKeyIEONBOZHTJFRFQ-AATRIKPKSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.67
LogP ≤ 53.23
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-propylsulfanylprop-1-ene?
The IUPAC name of (E)-1-chloro-2-propylsulfanylprop-1-ene (CID 5352287) is (E)-1-chloro-2-propylsulfanylprop-1-ene.
What is the SMILES notation for (E)-1-chloro-2-propylsulfanylprop-1-ene?
The canonical SMILES for (E)-1-chloro-2-propylsulfanylprop-1-ene is CCCS/C(C)=C/Cl.
What is the InChIKey of (E)-1-chloro-2-propylsulfanylprop-1-ene?
The InChIKey is IEONBOZHTJFRFQ-AATRIKPKSA-N. The full InChI is InChI=1S/C6H11ClS/c1-3-4-8-6(2)5-7/h5H,3-4H2,1-2H3/b6-5+.
What are the key properties of (E)-1-chloro-2-propylsulfanylprop-1-ene?
(E)-1-chloro-2-propylsulfanylprop-1-ene has a molecular weight of 150.67 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chloro-2-propylsulfanylprop-1-ene is sourced from PubChem (CID 5352287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).