2-[(E)-1,2-dichloroethenyl]sulfanylpropane

C5H8Cl2S — CID 134875930

IUPAC2-[(E)-1,2-dichloroethenyl]sulfanylpropane
SMILESCC(C)S/C(Cl)=C\Cl
InChIInChI=1S/C5H8Cl2S/c1-4(2)8-5(7)3-6/h3-4H,1-2H3/b5-3-
InChIKeyLLHLYYJVJYRAPC-HYXAFXHYSA-N
MW171.09 g/mol
LogP3.40
Rot. Bonds2

About 2-[(E)-1,2-dichloroethenyl]sulfanylpropane

2-[(E)-1,2-dichloroethenyl]sulfanylpropane (PubChem CID 134875930) has the molecular formula C5H8Cl2S and a molecular weight of 171.09 g/mol. Its IUPAC name is 2-[(E)-1,2-dichloroethenyl]sulfanylpropane.

Molecular Properties

Compound Name2-[(E)-1,2-dichloroethenyl]sulfanylpropane
PubChem CID134875930
Molecular FormulaC5H8Cl2S
Molecular Weight171.09 g/mol
Exact Mass169.97
IUPAC Name2-[(E)-1,2-dichloroethenyl]sulfanylpropane
SMILESCC(C)S/C(Cl)=C\Cl
InChIInChI=1S/C5H8Cl2S/c1-4(2)8-5(7)3-6/h3-4H,1-2H3/b5-3-
InChIKeyLLHLYYJVJYRAPC-HYXAFXHYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.09
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1,1,2-trichloroethene
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[amino(propan-2-ylsulfanyl)methylidene]azanium
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2-acetamido-3-(1,2-dichloroethenylsulfanyl)propanoic acid
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hypochlorous acid;bis(propan-2-ol);titanium
CID 88685410
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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1,2-dichloroethenyl]sulfanylpropane?
The IUPAC name of 2-[(E)-1,2-dichloroethenyl]sulfanylpropane (CID 134875930) is 2-[(E)-1,2-dichloroethenyl]sulfanylpropane.
What is the SMILES notation for 2-[(E)-1,2-dichloroethenyl]sulfanylpropane?
The canonical SMILES for 2-[(E)-1,2-dichloroethenyl]sulfanylpropane is CC(C)S/C(Cl)=C\Cl.
What is the InChIKey of 2-[(E)-1,2-dichloroethenyl]sulfanylpropane?
The InChIKey is LLHLYYJVJYRAPC-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H8Cl2S/c1-4(2)8-5(7)3-6/h3-4H,1-2H3/b5-3-.
What are the key properties of 2-[(E)-1,2-dichloroethenyl]sulfanylpropane?
2-[(E)-1,2-dichloroethenyl]sulfanylpropane has a molecular weight of 171.09 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1,2-dichloroethenyl]sulfanylpropane is sourced from PubChem (CID 134875930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).