2-(1-chloroethenylsulfanyl)prop-1-ene

C5H7ClS — CID 123233303

IUPAC2-(1-chloroethenylsulfanyl)prop-1-ene
SMILESC=C(C)SC(=C)Cl
InChIInChI=1S/C5H7ClS/c1-4(2)7-5(3)6/h1,3H2,2H3
InChIKeyHZKYNVLELUHKOW-UHFFFAOYSA-N
MW134.63 g/mol
LogP2.96
Rot. Bonds2

About 2-(1-chloroethenylsulfanyl)prop-1-ene

2-(1-chloroethenylsulfanyl)prop-1-ene (PubChem CID 123233303) has the molecular formula C5H7ClS and a molecular weight of 134.63 g/mol. Its IUPAC name is 2-(1-chloroethenylsulfanyl)prop-1-ene.

Molecular Properties

Compound Name2-(1-chloroethenylsulfanyl)prop-1-ene
PubChem CID123233303
Molecular FormulaC5H7ClS
Molecular Weight134.63 g/mol
Exact Mass134.00
IUPAC Name2-(1-chloroethenylsulfanyl)prop-1-ene
SMILESC=C(C)SC(=C)Cl
InChIInChI=1S/C5H7ClS/c1-4(2)7-5(3)6/h1,3H2,2H3
InChIKeyHZKYNVLELUHKOW-UHFFFAOYSA-N
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.63
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethenylsulfanyl)prop-1-ene?
The IUPAC name of 2-(1-chloroethenylsulfanyl)prop-1-ene (CID 123233303) is 2-(1-chloroethenylsulfanyl)prop-1-ene.
What is the SMILES notation for 2-(1-chloroethenylsulfanyl)prop-1-ene?
The canonical SMILES for 2-(1-chloroethenylsulfanyl)prop-1-ene is C=C(C)SC(=C)Cl.
What is the InChIKey of 2-(1-chloroethenylsulfanyl)prop-1-ene?
The InChIKey is HZKYNVLELUHKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClS/c1-4(2)7-5(3)6/h1,3H2,2H3.
What are the key properties of 2-(1-chloroethenylsulfanyl)prop-1-ene?
2-(1-chloroethenylsulfanyl)prop-1-ene has a molecular weight of 134.63 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethenylsulfanyl)prop-1-ene is sourced from PubChem (CID 123233303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).