2-hydroxyethyl 2-[[2-(2-hydroxyethoxy)-2-oxoethyl]sulfanylmethylsulfanylmethylsulfanyl]acetate

C10H18O6S3 — CID 87476466

IUPAC2-hydroxyethyl 2-[[2-(2-hydroxyethoxy)-2-oxoethyl]sulfanylmethylsulfanylmethylsulfanyl]acetate
SMILESO=C(CSCSCSCC(=O)OCCO)OCCO
InChIInChI=1S/C10H18O6S3/c11-1-3-15-9(13)5-17-7-19-8-18-6-10(14)16-4-2-12/h11-12H,1-8H2
InChIKeyMJUXQRKENSGPLL-UHFFFAOYSA-N
MW330.45 g/mol
LogP0.17
Rot. Bonds12

About 2-hydroxyethyl 2-[[2-(2-hydroxyethoxy)-2-oxoethyl]sulfanylmethylsulfanylmethylsulfanyl]acetate

2-hydroxyethyl 2-[[2-(2-hydroxyethoxy)-2-oxoethyl]sulfanylmethylsulfanylmethylsulfanyl]acetate (PubChem CID 87476466) has the molecular formula C10H18O6S3 and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-hydroxyethyl 2-[[2-(2-hydroxyethoxy)-2-oxoethyl]sulfanylmethylsulfanylmethylsulfanyl]acetate.

Molecular Properties

Compound Name2-hydroxyethyl 2-[[2-(2-hydroxyethoxy)-2-oxoethyl]sulfanylmethylsulfanylmethylsulfanyl]acetate
PubChem CID87476466
Molecular FormulaC10H18O6S3
Molecular Weight330.45 g/mol
Exact Mass330.03
IUPAC Name2-hydroxyethyl 2-[[2-(2-hydroxyethoxy)-2-oxoethyl]sulfanylmethylsulfanylmethylsulfanyl]acetate
SMILESO=C(CSCSCSCC(=O)OCCO)OCCO
InChIInChI=1S/C10H18O6S3/c11-1-3-15-9(13)5-17-7-19-8-18-6-10(14)16-4-2-12/h11-12H,1-8H2
InChIKeyMJUXQRKENSGPLL-UHFFFAOYSA-N
XLogP0.17
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-hydroxyethyl 2-[[2-(2-hydroxyethoxy)-2-oxoethyl]sulfanylmethylsulfanylmethylsulfanyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxyethyl 2-[2-[[2-[[2-(2-hydroxyethoxy)-2-oxoethyl]sulfanylmethylsulfanyl]acetyl]oxymethylsulfanylmethylsulfanylmethylperoxy]ethylsulfanylmethylsulfanyl]acetate
CID 58670977
2-[2-[2-[[2-(3-hydroxypropanoyloxymethylsulfanylmethylsulfanylmethylsulfanyl)acetyl]oxymethylsulfanylmethylsulfanyl]ethylperoxy]ethylsulfanylmethylsulfanyl]ethyl 3-hydroxypropanoate
CID 59488361
2-[2-[2-[[2-(hydroxymethylsulfanylmethoxy)-2-oxoethyl]sulfanylmethylsulfanyl]ethylperoxy]ethylsulfanylmethylsulfanyl]ethyl 2-[[2-(hydroxymethylsulfanylmethoxy)-2-oxoethyl]sulfanylmethylsulfanyl]acetate
CID 59488250
3-hydroxypropyl 2-[2-[[2-[[2-(3-hydroxypropoxy)-2-oxoethyl]sulfanylmethylsulfanylmethylsulfanyl]acetyl]sulfanylmethylsulfanylmethylsulfanylmethylsulfanylmethylsulfinyl]ethylsulfanylmethylsulfanylmethylsulfanyl]acetate
CID 59488444
hydroxymethylsulfanylmethylsulfanylmethyl 2-[2-[[2-[[2-(hydroxymethylsulfanylmethylsulfanylmethoxy)-2-oxoethyl]sulfanylmethylsulfanyl]acetyl]oxymethylsulfanylmethylsulfanylmethylsulfanylmethylperoxy]ethylsulfanylmethylsulfanyl]acetate
CID 59488181
2-hydroxyethylsulfanylmethyl 2-[2-[[2-[2-(2-hydroxyethylsulfanylmethylperoxy)ethylsulfanylmethylsulfanyl]acetyl]oxymethylsulfanylmethylsulfanylmethylperoxy]ethylsulfanylmethylsulfanyl]acetate
CID 58671158
2-[2-[2-[2-(carboxymethylsulfanyl)acetyl]oxyethoxy]-2-oxoethyl]sulfanylacetic acid
CID 4282371
3-hydroxypropyl 2-(disulfanyl)acetate
CID 141243335
bis(2-hydroxyethyl) heptanedioate
CID 58519890
bis(2-hydroxyethyl) decanedioate
CID 14094566
2-hydroxyethyl 3-aminopropanoate
CID 22321350
2-hydroxyethyl N-(methylsulfanylmethylsulfanylmethylsulfanylmethyl)carbamate
CID 58670771

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-[[2-(2-hydroxyethoxy)-2-oxoethyl]sulfanylmethylsulfanylmethylsulfanyl]acetate?
The IUPAC name of 2-hydroxyethyl 2-[[2-(2-hydroxyethoxy)-2-oxoethyl]sulfanylmethylsulfanylmethylsulfanyl]acetate (CID 87476466) is 2-hydroxyethyl 2-[[2-(2-hydroxyethoxy)-2-oxoethyl]sulfanylmethylsulfanylmethylsulfanyl]acetate.
What is the SMILES notation for 2-hydroxyethyl 2-[[2-(2-hydroxyethoxy)-2-oxoethyl]sulfanylmethylsulfanylmethylsulfanyl]acetate?
The canonical SMILES for 2-hydroxyethyl 2-[[2-(2-hydroxyethoxy)-2-oxoethyl]sulfanylmethylsulfanylmethylsulfanyl]acetate is O=C(CSCSCSCC(=O)OCCO)OCCO.
What is the InChIKey of 2-hydroxyethyl 2-[[2-(2-hydroxyethoxy)-2-oxoethyl]sulfanylmethylsulfanylmethylsulfanyl]acetate?
The InChIKey is MJUXQRKENSGPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O6S3/c11-1-3-15-9(13)5-17-7-19-8-18-6-10(14)16-4-2-12/h11-12H,1-8H2.
What are the key properties of 2-hydroxyethyl 2-[[2-(2-hydroxyethoxy)-2-oxoethyl]sulfanylmethylsulfanylmethylsulfanyl]acetate?
2-hydroxyethyl 2-[[2-(2-hydroxyethoxy)-2-oxoethyl]sulfanylmethylsulfanylmethylsulfanyl]acetate has a molecular weight of 330.45 g/mol, XLogP of 0.17, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-[[2-(2-hydroxyethoxy)-2-oxoethyl]sulfanylmethylsulfanylmethylsulfanyl]acetate is sourced from PubChem (CID 87476466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).