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

C5H8Cl2S — CID 12059860

IUPAC1-[(Z)-1,2-dichloroethenyl]sulfanylpropane
SMILESCCCS/C(Cl)=C/Cl
InChIInChI=1S/C5H8Cl2S/c1-2-3-8-5(7)4-6/h4H,2-3H2,1H3/b5-4+
InChIKeyBCLKQCAZZQNPQF-SNAWJCMRSA-N
MW171.09 g/mol
LogP3.41
Rot. Bonds3

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

1-[(Z)-1,2-dichloroethenyl]sulfanylpropane (PubChem CID 12059860) has the molecular formula C5H8Cl2S and a molecular weight of 171.09 g/mol. Its IUPAC name is 1-[(Z)-1,2-dichloroethenyl]sulfanylpropane.

Molecular Properties

Compound Name1-[(Z)-1,2-dichloroethenyl]sulfanylpropane
PubChem CID12059860
Molecular FormulaC5H8Cl2S
Molecular Weight171.09 g/mol
Exact Mass169.97
IUPAC Name1-[(Z)-1,2-dichloroethenyl]sulfanylpropane
SMILESCCCS/C(Cl)=C/Cl
InChIInChI=1S/C5H8Cl2S/c1-2-3-8-5(7)4-6/h4H,2-3H2,1H3/b5-4+
InChIKeyBCLKQCAZZQNPQF-SNAWJCMRSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.09
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1,2-dichloroethenyl]sulfanylpropane?
The IUPAC name of 1-[(Z)-1,2-dichloroethenyl]sulfanylpropane (CID 12059860) is 1-[(Z)-1,2-dichloroethenyl]sulfanylpropane.
What is the SMILES notation for 1-[(Z)-1,2-dichloroethenyl]sulfanylpropane?
The canonical SMILES for 1-[(Z)-1,2-dichloroethenyl]sulfanylpropane is CCCS/C(Cl)=C/Cl.
What is the InChIKey of 1-[(Z)-1,2-dichloroethenyl]sulfanylpropane?
The InChIKey is BCLKQCAZZQNPQF-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H8Cl2S/c1-2-3-8-5(7)4-6/h4H,2-3H2,1H3/b5-4+.
What are the key properties of 1-[(Z)-1,2-dichloroethenyl]sulfanylpropane?
1-[(Z)-1,2-dichloroethenyl]sulfanylpropane has a molecular weight of 171.09 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1,2-dichloroethenyl]sulfanylpropane is sourced from PubChem (CID 12059860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).