1-chloro-1-ethenylsulfanylethane

C4H7ClS — CID 13399457

IUPAC1-chloro-1-ethenylsulfanylethane
SMILESC=CSC(C)Cl
InChIInChI=1S/C4H7ClS/c1-3-6-4(2)5/h3-4H,1H2,2H3
InChIKeyUTMCUHCXICHJIA-UHFFFAOYSA-N
MW122.62 g/mol
LogP2.45
Rot. Bonds2

About 1-chloro-1-ethenylsulfanylethane

1-chloro-1-ethenylsulfanylethane (PubChem CID 13399457) has the molecular formula C4H7ClS and a molecular weight of 122.62 g/mol. Its IUPAC name is 1-chloro-1-ethenylsulfanylethane.

Molecular Properties

Compound Name1-chloro-1-ethenylsulfanylethane
PubChem CID13399457
Molecular FormulaC4H7ClS
Molecular Weight122.62 g/mol
Exact Mass122.00
IUPAC Name1-chloro-1-ethenylsulfanylethane
SMILESC=CSC(C)Cl
InChIInChI=1S/C4H7ClS/c1-3-6-4(2)5/h3-4H,1H2,2H3
InChIKeyUTMCUHCXICHJIA-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.62
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-ethenylsulfanylethane?
The IUPAC name of 1-chloro-1-ethenylsulfanylethane (CID 13399457) is 1-chloro-1-ethenylsulfanylethane.
What is the SMILES notation for 1-chloro-1-ethenylsulfanylethane?
The canonical SMILES for 1-chloro-1-ethenylsulfanylethane is C=CSC(C)Cl.
What is the InChIKey of 1-chloro-1-ethenylsulfanylethane?
The InChIKey is UTMCUHCXICHJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClS/c1-3-6-4(2)5/h3-4H,1H2,2H3.
What are the key properties of 1-chloro-1-ethenylsulfanylethane?
1-chloro-1-ethenylsulfanylethane has a molecular weight of 122.62 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-ethenylsulfanylethane is sourced from PubChem (CID 13399457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).