1-(2-chloroethylsulfanyl)-2-methylprop-1-ene

C6H11ClS — CID 55303718

IUPAC1-(2-chloroethylsulfanyl)-2-methylprop-1-ene
SMILESCC(C)=CSCCCl
InChIInChI=1S/C6H11ClS/c1-6(2)5-8-4-3-7/h5H,3-4H2,1-2H3
InChIKeyIZFRYSCKZBFBGJ-UHFFFAOYSA-N
MW150.67 g/mol
LogP2.88
Rot. Bonds3

About 1-(2-chloroethylsulfanyl)-2-methylprop-1-ene

1-(2-chloroethylsulfanyl)-2-methylprop-1-ene (PubChem CID 55303718) has the molecular formula C6H11ClS and a molecular weight of 150.67 g/mol. Its IUPAC name is 1-(2-chloroethylsulfanyl)-2-methylprop-1-ene.

Molecular Properties

Compound Name1-(2-chloroethylsulfanyl)-2-methylprop-1-ene
PubChem CID55303718
Molecular FormulaC6H11ClS
Molecular Weight150.67 g/mol
Exact Mass150.03
IUPAC Name1-(2-chloroethylsulfanyl)-2-methylprop-1-ene
SMILESCC(C)=CSCCCl
InChIInChI=1S/C6H11ClS/c1-6(2)5-8-4-3-7/h5H,3-4H2,1-2H3
InChIKeyIZFRYSCKZBFBGJ-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethylsulfanyl)-2-methylprop-1-ene?
The IUPAC name of 1-(2-chloroethylsulfanyl)-2-methylprop-1-ene (CID 55303718) is 1-(2-chloroethylsulfanyl)-2-methylprop-1-ene.
What is the SMILES notation for 1-(2-chloroethylsulfanyl)-2-methylprop-1-ene?
The canonical SMILES for 1-(2-chloroethylsulfanyl)-2-methylprop-1-ene is CC(C)=CSCCCl.
What is the InChIKey of 1-(2-chloroethylsulfanyl)-2-methylprop-1-ene?
The InChIKey is IZFRYSCKZBFBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClS/c1-6(2)5-8-4-3-7/h5H,3-4H2,1-2H3.
What are the key properties of 1-(2-chloroethylsulfanyl)-2-methylprop-1-ene?
1-(2-chloroethylsulfanyl)-2-methylprop-1-ene has a molecular weight of 150.67 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethylsulfanyl)-2-methylprop-1-ene is sourced from PubChem (CID 55303718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).