2-(2-chloroethenylsulfanyl)propane

C5H9ClS — CID 133064309

IUPAC2-(2-chloroethenylsulfanyl)propane
SMILESCC(C)SC=CCl
InChIInChI=1S/C5H9ClS/c1-5(2)7-4-3-6/h3-5H,1-2H3
InChIKeyDSKHYFBLAFOWQB-UHFFFAOYSA-N
MW136.65 g/mol
LogP2.84
Rot. Bonds2

About 2-(2-chloroethenylsulfanyl)propane

2-(2-chloroethenylsulfanyl)propane (PubChem CID 133064309) has the molecular formula C5H9ClS and a molecular weight of 136.65 g/mol. Its IUPAC name is 2-(2-chloroethenylsulfanyl)propane.

Molecular Properties

Compound Name2-(2-chloroethenylsulfanyl)propane
PubChem CID133064309
Molecular FormulaC5H9ClS
Molecular Weight136.65 g/mol
Exact Mass136.01
IUPAC Name2-(2-chloroethenylsulfanyl)propane
SMILESCC(C)SC=CCl
InChIInChI=1S/C5H9ClS/c1-5(2)7-4-3-6/h3-5H,1-2H3
InChIKeyDSKHYFBLAFOWQB-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.65
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethenylsulfanyl)propane?
The IUPAC name of 2-(2-chloroethenylsulfanyl)propane (CID 133064309) is 2-(2-chloroethenylsulfanyl)propane.
What is the SMILES notation for 2-(2-chloroethenylsulfanyl)propane?
The canonical SMILES for 2-(2-chloroethenylsulfanyl)propane is CC(C)SC=CCl.
What is the InChIKey of 2-(2-chloroethenylsulfanyl)propane?
The InChIKey is DSKHYFBLAFOWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClS/c1-5(2)7-4-3-6/h3-5H,1-2H3.
What are the key properties of 2-(2-chloroethenylsulfanyl)propane?
2-(2-chloroethenylsulfanyl)propane has a molecular weight of 136.65 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethenylsulfanyl)propane is sourced from PubChem (CID 133064309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).