S-[2-[2-[2-(2-methylprop-2-enoylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl] 2-methylprop-2-enethioate

C14H22O2S4 — CID 14495948

IUPACS-[2-[2-[2-(2-methylprop-2-enoylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl] 2-methylprop-2-enethioate
SMILESC=C(C)C(=O)SCCSCCSCCSC(=O)C(=C)C
InChIInChI=1S/C14H22O2S4/c1-11(2)13(15)19-9-7-17-5-6-18-8-10-20-14(16)12(3)4/h1,3,5-10H2,2,4H3
InChIKeyFOVIPHMRNUBSDP-UHFFFAOYSA-N
MW350.60 g/mol
LogP4.12
Rot. Bonds11

About S-[2-[2-[2-(2-methylprop-2-enoylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl] 2-methylprop-2-enethioate

S-[2-[2-[2-(2-methylprop-2-enoylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl] 2-methylprop-2-enethioate (PubChem CID 14495948) has the molecular formula C14H22O2S4 and a molecular weight of 350.60 g/mol. Its IUPAC name is S-[2-[2-[2-(2-methylprop-2-enoylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl] 2-methylprop-2-enethioate.

Molecular Properties

Compound NameS-[2-[2-[2-(2-methylprop-2-enoylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl] 2-methylprop-2-enethioate
PubChem CID14495948
Molecular FormulaC14H22O2S4
Molecular Weight350.60 g/mol
Exact Mass350.05
IUPAC NameS-[2-[2-[2-(2-methylprop-2-enoylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl] 2-methylprop-2-enethioate
SMILESC=C(C)C(=O)SCCSCCSCCSC(=O)C(=C)C
InChIInChI=1S/C14H22O2S4/c1-11(2)13(15)19-9-7-17-5-6-18-8-10-20-14(16)12(3)4/h1,3,5-10H2,2,4H3
InChIKeyFOVIPHMRNUBSDP-UHFFFAOYSA-N
XLogP4.12
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.60
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[2-(2-methylprop-2-enoylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl] 2-methylprop-2-enethioate?
The IUPAC name of S-[2-[2-[2-(2-methylprop-2-enoylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl] 2-methylprop-2-enethioate (CID 14495948) is S-[2-[2-[2-(2-methylprop-2-enoylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl] 2-methylprop-2-enethioate.
What is the SMILES notation for S-[2-[2-[2-(2-methylprop-2-enoylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl] 2-methylprop-2-enethioate?
The canonical SMILES for S-[2-[2-[2-(2-methylprop-2-enoylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl] 2-methylprop-2-enethioate is C=C(C)C(=O)SCCSCCSCCSC(=O)C(=C)C.
What is the InChIKey of S-[2-[2-[2-(2-methylprop-2-enoylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl] 2-methylprop-2-enethioate?
The InChIKey is FOVIPHMRNUBSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2S4/c1-11(2)13(15)19-9-7-17-5-6-18-8-10-20-14(16)12(3)4/h1,3,5-10H2,2,4H3.
What are the key properties of S-[2-[2-[2-(2-methylprop-2-enoylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl] 2-methylprop-2-enethioate?
S-[2-[2-[2-(2-methylprop-2-enoylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl] 2-methylprop-2-enethioate has a molecular weight of 350.60 g/mol, XLogP of 4.12, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for S-[2-[2-[2-(2-methylprop-2-enoylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl] 2-methylprop-2-enethioate is sourced from PubChem (CID 14495948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).