2-chloro-1-(2-chloroprop-1-enylsulfanyl)prop-1-ene

C6H8Cl2S — CID 154734175

IUPAC2-chloro-1-(2-chloroprop-1-enylsulfanyl)prop-1-ene
SMILESCC(Cl)=CSC=C(C)Cl
InChIInChI=1S/C6H8Cl2S/c1-5(7)3-9-4-6(2)8/h3-4H,1-2H3
InChIKeyFDCGHHDGVPYROF-UHFFFAOYSA-N
MW183.10 g/mol
LogP3.92
Rot. Bonds2

About 2-chloro-1-(2-chloroprop-1-enylsulfanyl)prop-1-ene

2-chloro-1-(2-chloroprop-1-enylsulfanyl)prop-1-ene (PubChem CID 154734175) has the molecular formula C6H8Cl2S and a molecular weight of 183.10 g/mol. Its IUPAC name is 2-chloro-1-(2-chloroprop-1-enylsulfanyl)prop-1-ene.

Molecular Properties

Compound Name2-chloro-1-(2-chloroprop-1-enylsulfanyl)prop-1-ene
PubChem CID154734175
Molecular FormulaC6H8Cl2S
Molecular Weight183.10 g/mol
Exact Mass181.97
IUPAC Name2-chloro-1-(2-chloroprop-1-enylsulfanyl)prop-1-ene
SMILESCC(Cl)=CSC=C(C)Cl
InChIInChI=1S/C6H8Cl2S/c1-5(7)3-9-4-6(2)8/h3-4H,1-2H3
InChIKeyFDCGHHDGVPYROF-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.10
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-chloroprop-1-enylsulfanyl)prop-1-ene?
The IUPAC name of 2-chloro-1-(2-chloroprop-1-enylsulfanyl)prop-1-ene (CID 154734175) is 2-chloro-1-(2-chloroprop-1-enylsulfanyl)prop-1-ene.
What is the SMILES notation for 2-chloro-1-(2-chloroprop-1-enylsulfanyl)prop-1-ene?
The canonical SMILES for 2-chloro-1-(2-chloroprop-1-enylsulfanyl)prop-1-ene is CC(Cl)=CSC=C(C)Cl.
What is the InChIKey of 2-chloro-1-(2-chloroprop-1-enylsulfanyl)prop-1-ene?
The InChIKey is FDCGHHDGVPYROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2S/c1-5(7)3-9-4-6(2)8/h3-4H,1-2H3.
What are the key properties of 2-chloro-1-(2-chloroprop-1-enylsulfanyl)prop-1-ene?
2-chloro-1-(2-chloroprop-1-enylsulfanyl)prop-1-ene has a molecular weight of 183.10 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-chloroprop-1-enylsulfanyl)prop-1-ene is sourced from PubChem (CID 154734175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).