2-(1-chloroethenylsulfanyl)butane

C6H11ClS — CID 88989338

IUPAC2-(1-chloroethenylsulfanyl)butane
SMILESC=C(Cl)SC(C)CC
InChIInChI=1S/C6H11ClS/c1-4-5(2)8-6(3)7/h5H,3-4H2,1-2H3
InChIKeyTYUSJDJXIMCUFP-UHFFFAOYSA-N
MW150.67 g/mol
LogP3.23
Rot. Bonds3

About 2-(1-chloroethenylsulfanyl)butane

2-(1-chloroethenylsulfanyl)butane (PubChem CID 88989338) has the molecular formula C6H11ClS and a molecular weight of 150.67 g/mol. Its IUPAC name is 2-(1-chloroethenylsulfanyl)butane.

Molecular Properties

Compound Name2-(1-chloroethenylsulfanyl)butane
PubChem CID88989338
Molecular FormulaC6H11ClS
Molecular Weight150.67 g/mol
Exact Mass150.03
IUPAC Name2-(1-chloroethenylsulfanyl)butane
SMILESC=C(Cl)SC(C)CC
InChIInChI=1S/C6H11ClS/c1-4-5(2)8-6(3)7/h5H,3-4H2,1-2H3
InChIKeyTYUSJDJXIMCUFP-UHFFFAOYSA-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 2-(1-chloroethenylsulfanyl)butane?
The IUPAC name of 2-(1-chloroethenylsulfanyl)butane (CID 88989338) is 2-(1-chloroethenylsulfanyl)butane.
What is the SMILES notation for 2-(1-chloroethenylsulfanyl)butane?
The canonical SMILES for 2-(1-chloroethenylsulfanyl)butane is C=C(Cl)SC(C)CC.
What is the InChIKey of 2-(1-chloroethenylsulfanyl)butane?
The InChIKey is TYUSJDJXIMCUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClS/c1-4-5(2)8-6(3)7/h5H,3-4H2,1-2H3.
What are the key properties of 2-(1-chloroethenylsulfanyl)butane?
2-(1-chloroethenylsulfanyl)butane 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 2-(1-chloroethenylsulfanyl)butane is sourced from PubChem (CID 88989338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).