S-(3-hydroxypropyl) 2-[2-[[2-[[2-(3-hydroxypropylsulfanyl)-2-oxoethyl]sulfanylmethylsulfanyl]acetyl]sulfanylmethylsulfanylmethylsulfanylmethylsulfinyl]ethylsulfanylmethylsulfanyl]ethanethioate

C19H34O6S10 — CID 58670602

About S-(3-hydroxypropyl) 2-[2-[[2-[[2-(3-hydroxypropylsulfanyl)-2-oxoethyl]sulfanylmethylsulfanyl]acetyl]sulfanylmethylsulfanylmethylsulfanylmethylsulfinyl]ethylsulfanylmethylsulfanyl]ethanethioate

S-(3-hydroxypropyl) 2-[2-[[2-[[2-(3-hydroxypropylsulfanyl)-2-oxoethyl]sulfanylmethylsulfanyl]acetyl]sulfanylmethylsulfanylmethylsulfanylmethylsulfinyl]ethylsulfanylmethylsulfanyl]ethanethioate (PubChem CID 58670602) has the molecular formula C19H34O6S10 and a molecular weight of 679.14 g/mol. Its IUPAC name is S-(3-hydroxypropyl) 2-[2-[[2-[[2-(3-hydroxypropylsulfanyl)-2-oxoethyl]sulfanylmethylsulfanyl]acetyl]sulfanylmethylsulfanylmethylsulfanylmethylsulfinyl]ethylsulfanylmethylsulfanyl]ethanethioate.

Molecular Properties

• Compound Name: S-(3-hydroxypropyl) 2-[2-[[2-[[2-(3-hydroxypropylsulfanyl)-2-oxoethyl]sulfanylmethylsulfanyl]acetyl]sulfanylmethylsulfanylmethylsulfanylmethylsulfinyl]ethylsulfanylmethylsulfanyl]ethanethioate
• PubChem CID: 58670602
• Molecular Formula: C19H34O6S10
• Molecular Weight: 679.14 g/mol
• Exact Mass: 677.96
• IUPAC Name: S-(3-hydroxypropyl) 2-[2-[[2-[[2-(3-hydroxypropylsulfanyl)-2-oxoethyl]sulfanylmethylsulfanyl]acetyl]sulfanylmethylsulfanylmethylsulfanylmethylsulfinyl]ethylsulfanylmethylsulfanyl]ethanethioate
• SMILES: O=C(CSCSCCS(=O)CSCSCSC(=O)CSCSCC(=O)SCCCO)SCCCO
• InChI: InChI=1S/C19H34O6S10/c20-3-1-5-32-17(22)9-27-12-26-7-8-35(25)16-31-14-30-15-34-19(24)11-29-13-28-10-18(23)33-6-2-4-21/h20-21H,1-16H2
• InChIKey: VBNYCUWMRYTFPP-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 108.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 25
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	679.14
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of S-(3-hydroxypropyl) 2-[2-[[2-[[2-(3-hydroxypropylsulfanyl)-2-oxoethyl]sulfanylmethylsulfanyl]acetyl]sulfanylmethylsulfanylmethylsulfanylmethylsulfinyl]ethylsulfanylmethylsulfanyl]ethanethioate?

The IUPAC name of S-(3-hydroxypropyl) 2-[2-[[2-[[2-(3-hydroxypropylsulfanyl)-2-oxoethyl]sulfanylmethylsulfanyl]acetyl]sulfanylmethylsulfanylmethylsulfanylmethylsulfinyl]ethylsulfanylmethylsulfanyl]ethanethioate (CID 58670602) is S-(3-hydroxypropyl) 2-[2-[[2-[[2-(3-hydroxypropylsulfanyl)-2-oxoethyl]sulfanylmethylsulfanyl]acetyl]sulfanylmethylsulfanylmethylsulfanylmethylsulfinyl]ethylsulfanylmethylsulfanyl]ethanethioate.

What is the SMILES notation for S-(3-hydroxypropyl) 2-[2-[[2-[[2-(3-hydroxypropylsulfanyl)-2-oxoethyl]sulfanylmethylsulfanyl]acetyl]sulfanylmethylsulfanylmethylsulfanylmethylsulfinyl]ethylsulfanylmethylsulfanyl]ethanethioate?

The canonical SMILES for S-(3-hydroxypropyl) 2-[2-[[2-[[2-(3-hydroxypropylsulfanyl)-2-oxoethyl]sulfanylmethylsulfanyl]acetyl]sulfanylmethylsulfanylmethylsulfanylmethylsulfinyl]ethylsulfanylmethylsulfanyl]ethanethioate is O=C(CSCSCCS(=O)CSCSCSC(=O)CSCSCC(=O)SCCCO)SCCCO.

What is the InChIKey of S-(3-hydroxypropyl) 2-[2-[[2-[[2-(3-hydroxypropylsulfanyl)-2-oxoethyl]sulfanylmethylsulfanyl]acetyl]sulfanylmethylsulfanylmethylsulfanylmethylsulfinyl]ethylsulfanylmethylsulfanyl]ethanethioate?

The InChIKey is VBNYCUWMRYTFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O6S10/c20-3-1-5-32-17(22)9-27-12-26-7-8-35(25)16-31-14-30-15-34-19(24)11-29-13-28-10-18(23)33-6-2-4-21/h20-21H,1-16H2.

What are the key properties of S-(3-hydroxypropyl) 2-[2-[[2-[[2-(3-hydroxypropylsulfanyl)-2-oxoethyl]sulfanylmethylsulfanyl]acetyl]sulfanylmethylsulfanylmethylsulfanylmethylsulfinyl]ethylsulfanylmethylsulfanyl]ethanethioate?

S-(3-hydroxypropyl) 2-[2-[[2-[[2-(3-hydroxypropylsulfanyl)-2-oxoethyl]sulfanylmethylsulfanyl]acetyl]sulfanylmethylsulfanylmethylsulfanylmethylsulfinyl]ethylsulfanylmethylsulfanyl]ethanethioate has a molecular weight of 679.14 g/mol, XLogP of 4.47, 25 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for S-(3-hydroxypropyl) 2-[2-[[2-[[2-(3-hydroxypropylsulfanyl)-2-oxoethyl]sulfanylmethylsulfanyl]acetyl]sulfanylmethylsulfanylmethylsulfanylmethylsulfinyl]ethylsulfanylmethylsulfanyl]ethanethioate is sourced from PubChem (CID 58670602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).