S-[2-(2-prop-2-enoylsulfanylethylsulfanyl)ethyl] prop-2-enethioate

C10H14O2S3 — CID 11065256

IUPACS-[2-(2-prop-2-enoylsulfanylethylsulfanyl)ethyl] prop-2-enethioate
SMILESC=CC(=O)SCCSCCSC(=O)C=C
InChIInChI=1S/C10H14O2S3/c1-3-9(11)14-7-5-13-6-8-15-10(12)4-2/h3-4H,1-2,5-8H2
InChIKeyFJELNSIPDYXDQA-UHFFFAOYSA-N
MW262.42 g/mol
LogP2.61
Rot. Bonds8

About S-[2-(2-prop-2-enoylsulfanylethylsulfanyl)ethyl] prop-2-enethioate

S-[2-(2-prop-2-enoylsulfanylethylsulfanyl)ethyl] prop-2-enethioate (PubChem CID 11065256) has the molecular formula C10H14O2S3 and a molecular weight of 262.42 g/mol. Its IUPAC name is S-[2-(2-prop-2-enoylsulfanylethylsulfanyl)ethyl] prop-2-enethioate.

Molecular Properties

Compound NameS-[2-(2-prop-2-enoylsulfanylethylsulfanyl)ethyl] prop-2-enethioate
PubChem CID11065256
Molecular FormulaC10H14O2S3
Molecular Weight262.42 g/mol
Exact Mass262.02
IUPAC NameS-[2-(2-prop-2-enoylsulfanylethylsulfanyl)ethyl] prop-2-enethioate
SMILESC=CC(=O)SCCSCCSC(=O)C=C
InChIInChI=1S/C10H14O2S3/c1-3-9(11)14-7-5-13-6-8-15-10(12)4-2/h3-4H,1-2,5-8H2
InChIKeyFJELNSIPDYXDQA-UHFFFAOYSA-N
XLogP2.61
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of S-[2-(2-prop-2-enoylsulfanylethylsulfanyl)ethyl] prop-2-enethioate?
The IUPAC name of S-[2-(2-prop-2-enoylsulfanylethylsulfanyl)ethyl] prop-2-enethioate (CID 11065256) is S-[2-(2-prop-2-enoylsulfanylethylsulfanyl)ethyl] prop-2-enethioate.
What is the SMILES notation for S-[2-(2-prop-2-enoylsulfanylethylsulfanyl)ethyl] prop-2-enethioate?
The canonical SMILES for S-[2-(2-prop-2-enoylsulfanylethylsulfanyl)ethyl] prop-2-enethioate is C=CC(=O)SCCSCCSC(=O)C=C.
What is the InChIKey of S-[2-(2-prop-2-enoylsulfanylethylsulfanyl)ethyl] prop-2-enethioate?
The InChIKey is FJELNSIPDYXDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S3/c1-3-9(11)14-7-5-13-6-8-15-10(12)4-2/h3-4H,1-2,5-8H2.
What are the key properties of S-[2-(2-prop-2-enoylsulfanylethylsulfanyl)ethyl] prop-2-enethioate?
S-[2-(2-prop-2-enoylsulfanylethylsulfanyl)ethyl] prop-2-enethioate has a molecular weight of 262.42 g/mol, XLogP of 2.61, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for S-[2-(2-prop-2-enoylsulfanylethylsulfanyl)ethyl] prop-2-enethioate is sourced from PubChem (CID 11065256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).