(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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Related Compounds

CID 12687913
CID 12687913
CID 13066013
CID 13066013
CID 134988514
CID 134988514
CID 134988828
CID 134988828
CID 54391100
CID 54391100
CID 88025302
CID 88025302
CID 101441039
CID 101441039
CID 144403722
CID 144403722
CID 173220894
CID 173220894
CID 173253349
CID 173253349
CID 12687907
CID 12687907

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).