(Z)-1-(1,2,2-trichloroethenylsulfanyl)but-2-ene

C6H7Cl3S — CID 134988917

IUPAC(Z)-1-(1,2,2-trichloroethenylsulfanyl)but-2-ene
SMILESC/C=C\CSC(Cl)=C(Cl)Cl
InChIInChI=1S/C6H7Cl3S/c1-2-3-4-10-6(9)5(7)8/h2-3H,4H2,1H3/b3-2-
InChIKeyGRIQUUGAQCCVEA-IHWYPQMZSA-N
MW217.55 g/mol
LogP4.14
Rot. Bonds3

About (Z)-1-(1,2,2-trichloroethenylsulfanyl)but-2-ene

(Z)-1-(1,2,2-trichloroethenylsulfanyl)but-2-ene (PubChem CID 134988917) has the molecular formula C6H7Cl3S and a molecular weight of 217.55 g/mol. Its IUPAC name is (Z)-1-(1,2,2-trichloroethenylsulfanyl)but-2-ene.

Molecular Properties

Compound Name(Z)-1-(1,2,2-trichloroethenylsulfanyl)but-2-ene
PubChem CID134988917
Molecular FormulaC6H7Cl3S
Molecular Weight217.55 g/mol
Exact Mass215.93
IUPAC Name(Z)-1-(1,2,2-trichloroethenylsulfanyl)but-2-ene
SMILESC/C=C\CSC(Cl)=C(Cl)Cl
InChIInChI=1S/C6H7Cl3S/c1-2-3-4-10-6(9)5(7)8/h2-3H,4H2,1H3/b3-2-
InChIKeyGRIQUUGAQCCVEA-IHWYPQMZSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.55
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(1,2,2-trichloroethenylsulfanyl)but-2-ene?
The IUPAC name of (Z)-1-(1,2,2-trichloroethenylsulfanyl)but-2-ene (CID 134988917) is (Z)-1-(1,2,2-trichloroethenylsulfanyl)but-2-ene.
What is the SMILES notation for (Z)-1-(1,2,2-trichloroethenylsulfanyl)but-2-ene?
The canonical SMILES for (Z)-1-(1,2,2-trichloroethenylsulfanyl)but-2-ene is C/C=C\CSC(Cl)=C(Cl)Cl.
What is the InChIKey of (Z)-1-(1,2,2-trichloroethenylsulfanyl)but-2-ene?
The InChIKey is GRIQUUGAQCCVEA-IHWYPQMZSA-N. The full InChI is InChI=1S/C6H7Cl3S/c1-2-3-4-10-6(9)5(7)8/h2-3H,4H2,1H3/b3-2-.
What are the key properties of (Z)-1-(1,2,2-trichloroethenylsulfanyl)but-2-ene?
(Z)-1-(1,2,2-trichloroethenylsulfanyl)but-2-ene has a molecular weight of 217.55 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(1,2,2-trichloroethenylsulfanyl)but-2-ene is sourced from PubChem (CID 134988917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).