2-(1,4-dithian-2-ylmethylsulfanyl)ethyl prop-2-enoate

C10H16O2S3 — CID 154311936

IUPAC2-(1,4-dithian-2-ylmethylsulfanyl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCSCC1CSCCS1
InChIInChI=1S/C10H16O2S3/c1-2-10(11)12-3-4-13-7-9-8-14-5-6-15-9/h2,9H,1,3-8H2
InChIKeyOCUCUIUWOOGHLU-UHFFFAOYSA-N
MW264.44 g/mol
LogP2.30
Rot. Bonds6

About 2-(1,4-dithian-2-ylmethylsulfanyl)ethyl prop-2-enoate

2-(1,4-dithian-2-ylmethylsulfanyl)ethyl prop-2-enoate (PubChem CID 154311936) has the molecular formula C10H16O2S3 and a molecular weight of 264.44 g/mol. Its IUPAC name is 2-(1,4-dithian-2-ylmethylsulfanyl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(1,4-dithian-2-ylmethylsulfanyl)ethyl prop-2-enoate
PubChem CID154311936
Molecular FormulaC10H16O2S3
Molecular Weight264.44 g/mol
Exact Mass264.03
IUPAC Name2-(1,4-dithian-2-ylmethylsulfanyl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCSCC1CSCCS1
InChIInChI=1S/C10H16O2S3/c1-2-10(11)12-3-4-13-7-9-8-14-5-6-15-9/h2,9H,1,3-8H2
InChIKeyOCUCUIUWOOGHLU-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 52.30
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'}

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Related Compounds

2-prop-2-enylsulfanylethyl prop-2-enoate
CID 14957377
[2-[6-[[4-(prop-2-enoyloxymethyl)-1,3-dithiolan-2-yl]methylsulfanyl]hexylsulfanylmethyl]-1,3-dithiolan-4-yl]methyl prop-2-enoate
CID 22602060
2-(2-hydroxy-3-sulfanylpropyl)sulfanylethyl prop-2-enoate
CID 178068417
2-(2-prop-2-enoyloxyethylsulfanyl)ethylphosphonic acid
CID 137435024
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-propan-2-ylsulfanylethyl prop-2-enoate
CID 58422252
2-[bis(2-prop-2-enoyloxyethylsulfanyl)phosphinothioylsulfanyl]ethyl prop-2-enoate
CID 170529188
2-(2-methoxyethyldisulfanyl)ethyl prop-2-enoate
CID 139453919
2-(3-ethenoxypropyl)-1,4-dithiane
CID 176603259
6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate;2-(2-prop-2-enoyloxyethylsulfanyl)ethyl prop-2-enoate
CID 158479065
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dithian-2-ylmethylsulfanyl)ethyl prop-2-enoate?
The IUPAC name of 2-(1,4-dithian-2-ylmethylsulfanyl)ethyl prop-2-enoate (CID 154311936) is 2-(1,4-dithian-2-ylmethylsulfanyl)ethyl prop-2-enoate.
What is the SMILES notation for 2-(1,4-dithian-2-ylmethylsulfanyl)ethyl prop-2-enoate?
The canonical SMILES for 2-(1,4-dithian-2-ylmethylsulfanyl)ethyl prop-2-enoate is C=CC(=O)OCCSCC1CSCCS1.
What is the InChIKey of 2-(1,4-dithian-2-ylmethylsulfanyl)ethyl prop-2-enoate?
The InChIKey is OCUCUIUWOOGHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S3/c1-2-10(11)12-3-4-13-7-9-8-14-5-6-15-9/h2,9H,1,3-8H2.
What are the key properties of 2-(1,4-dithian-2-ylmethylsulfanyl)ethyl prop-2-enoate?
2-(1,4-dithian-2-ylmethylsulfanyl)ethyl prop-2-enoate has a molecular weight of 264.44 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dithian-2-ylmethylsulfanyl)ethyl prop-2-enoate is sourced from PubChem (CID 154311936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).