2-[bis(2-prop-2-enoyloxyethylsulfanyl)phosphinothioylsulfanyl]ethyl prop-2-enoate

C15H21O6PS4 — CID 170529188

IUPAC2-[bis(2-prop-2-enoyloxyethylsulfanyl)phosphinothioylsulfanyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCSP(=S)(SCCOC(=O)C=C)SCCOC(=O)C=C
InChIInChI=1S/C15H21O6PS4/c1-4-13(16)19-7-10-24-22(23,25-11-8-20-14(17)5-2)26-12-9-21-15(18)6-3/h4-6H,1-3,7-12H2
InChIKeyOESDPJLUAYSCNM-UHFFFAOYSA-N
MW456.57 g/mol
LogP3.60
Rot. Bonds15

About 2-[bis(2-prop-2-enoyloxyethylsulfanyl)phosphinothioylsulfanyl]ethyl prop-2-enoate

2-[bis(2-prop-2-enoyloxyethylsulfanyl)phosphinothioylsulfanyl]ethyl prop-2-enoate (PubChem CID 170529188) has the molecular formula C15H21O6PS4 and a molecular weight of 456.57 g/mol. Its IUPAC name is 2-[bis(2-prop-2-enoyloxyethylsulfanyl)phosphinothioylsulfanyl]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[bis(2-prop-2-enoyloxyethylsulfanyl)phosphinothioylsulfanyl]ethyl prop-2-enoate
PubChem CID170529188
Molecular FormulaC15H21O6PS4
Molecular Weight456.57 g/mol
Exact Mass456.00
IUPAC Name2-[bis(2-prop-2-enoyloxyethylsulfanyl)phosphinothioylsulfanyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCSP(=S)(SCCOC(=O)C=C)SCCOC(=O)C=C
InChIInChI=1S/C15H21O6PS4/c1-4-13(16)19-7-10-24-22(23,25-11-8-20-14(17)5-2)26-12-9-21-15(18)6-3/h4-6H,1-3,7-12H2
InChIKeyOESDPJLUAYSCNM-UHFFFAOYSA-N
XLogP3.60
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-bis(ethylsulfanyl)phosphinothioylsulfanylethyl prop-2-enoate
CID 170529176
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-prop-2-enylsulfanylethyl prop-2-enoate
CID 14957377
2-propan-2-ylsulfanylethyl prop-2-enoate
CID 58422252
2-(2-methoxyethyldisulfanyl)ethyl prop-2-enoate
CID 139453919
2-(2-prop-2-enoyloxyethylsulfanyl)ethylphosphonic acid
CID 137435024
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
2-[1-[1-(2-prop-2-enoyloxyethylsulfanyl)ethoxy]ethylsulfanyl]ethyl prop-2-enoate
CID 23044364
2-[1-[1-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate
CID 23044366
2-[(3E)-hexa-1,3,5-trien-3-yl]sulfanylethyl prop-2-enoate
CID 155347809

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-prop-2-enoyloxyethylsulfanyl)phosphinothioylsulfanyl]ethyl prop-2-enoate?
The IUPAC name of 2-[bis(2-prop-2-enoyloxyethylsulfanyl)phosphinothioylsulfanyl]ethyl prop-2-enoate (CID 170529188) is 2-[bis(2-prop-2-enoyloxyethylsulfanyl)phosphinothioylsulfanyl]ethyl prop-2-enoate.
What is the SMILES notation for 2-[bis(2-prop-2-enoyloxyethylsulfanyl)phosphinothioylsulfanyl]ethyl prop-2-enoate?
The canonical SMILES for 2-[bis(2-prop-2-enoyloxyethylsulfanyl)phosphinothioylsulfanyl]ethyl prop-2-enoate is C=CC(=O)OCCSP(=S)(SCCOC(=O)C=C)SCCOC(=O)C=C.
What is the InChIKey of 2-[bis(2-prop-2-enoyloxyethylsulfanyl)phosphinothioylsulfanyl]ethyl prop-2-enoate?
The InChIKey is OESDPJLUAYSCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21O6PS4/c1-4-13(16)19-7-10-24-22(23,25-11-8-20-14(17)5-2)26-12-9-21-15(18)6-3/h4-6H,1-3,7-12H2.
What are the key properties of 2-[bis(2-prop-2-enoyloxyethylsulfanyl)phosphinothioylsulfanyl]ethyl prop-2-enoate?
2-[bis(2-prop-2-enoyloxyethylsulfanyl)phosphinothioylsulfanyl]ethyl prop-2-enoate has a molecular weight of 456.57 g/mol, XLogP of 3.60, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-prop-2-enoyloxyethylsulfanyl)phosphinothioylsulfanyl]ethyl prop-2-enoate is sourced from PubChem (CID 170529188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).