1-chloro-1-ethenylsulfanylethane;ethenylsulfanylethene

C8H13ClS2 — CID 88746563

IUPAC1-chloro-1-ethenylsulfanylethane;ethenylsulfanylethene
SMILESC=CSC(C)Cl.C=CSC=C
InChIInChI=1S/C4H7ClS.C4H6S/c1-3-6-4(2)5;1-3-5-4-2/h3-4H,1H2,2H3;3-4H,1-2H2
InChIKeyCKGZBABEWUVAJC-UHFFFAOYSA-N
MW208.78 g/mol
LogP4.45
Rot. Bonds4

About 1-chloro-1-ethenylsulfanylethane;ethenylsulfanylethene

1-chloro-1-ethenylsulfanylethane;ethenylsulfanylethene (PubChem CID 88746563) has the molecular formula C8H13ClS2 and a molecular weight of 208.78 g/mol. Its IUPAC name is 1-chloro-1-ethenylsulfanylethane;ethenylsulfanylethene.

Molecular Properties

Compound Name1-chloro-1-ethenylsulfanylethane;ethenylsulfanylethene
PubChem CID88746563
Molecular FormulaC8H13ClS2
Molecular Weight208.78 g/mol
Exact Mass208.01
IUPAC Name1-chloro-1-ethenylsulfanylethane;ethenylsulfanylethene
SMILESC=CSC(C)Cl.C=CSC=C
InChIInChI=1S/C4H7ClS.C4H6S/c1-3-6-4(2)5;1-3-5-4-2/h3-4H,1H2,2H3;3-4H,1-2H2
InChIKeyCKGZBABEWUVAJC-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.78
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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;ethenylsulfanylethene?
The IUPAC name of 1-chloro-1-ethenylsulfanylethane;ethenylsulfanylethene (CID 88746563) is 1-chloro-1-ethenylsulfanylethane;ethenylsulfanylethene.
What is the SMILES notation for 1-chloro-1-ethenylsulfanylethane;ethenylsulfanylethene?
The canonical SMILES for 1-chloro-1-ethenylsulfanylethane;ethenylsulfanylethene is C=CSC(C)Cl.C=CSC=C.
What is the InChIKey of 1-chloro-1-ethenylsulfanylethane;ethenylsulfanylethene?
The InChIKey is CKGZBABEWUVAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClS.C4H6S/c1-3-6-4(2)5;1-3-5-4-2/h3-4H,1H2,2H3;3-4H,1-2H2.
What are the key properties of 1-chloro-1-ethenylsulfanylethane;ethenylsulfanylethene?
1-chloro-1-ethenylsulfanylethane;ethenylsulfanylethene has a molecular weight of 208.78 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-ethenylsulfanylethane;ethenylsulfanylethene is sourced from PubChem (CID 88746563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).