1-tert-butylsulfanyl-3-[2-(3-tert-butylsulfanyl-2-hydroxypropyl)sulfanylethylsulfanyl]propan-2-ol

C16H34O2S4 — CID 22217673

IUPAC1-tert-butylsulfanyl-3-[2-(3-tert-butylsulfanyl-2-hydroxypropyl)sulfanylethylsulfanyl]propan-2-ol
SMILESCC(C)(C)SCC(O)CSCCSCC(O)CSC(C)(C)C
InChIInChI=1S/C16H34O2S4/c1-15(2,3)21-11-13(17)9-19-7-8-20-10-14(18)12-22-16(4,5)6/h13-14,17-18H,7-12H2,1-6H3
InChIKeyLSLWFHMVBGJFMZ-UHFFFAOYSA-N
MW386.71 g/mol
LogP4.24
Rot. Bonds11

About 1-tert-butylsulfanyl-3-[2-(3-tert-butylsulfanyl-2-hydroxypropyl)sulfanylethylsulfanyl]propan-2-ol

1-tert-butylsulfanyl-3-[2-(3-tert-butylsulfanyl-2-hydroxypropyl)sulfanylethylsulfanyl]propan-2-ol (PubChem CID 22217673) has the molecular formula C16H34O2S4 and a molecular weight of 386.71 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-3-[2-(3-tert-butylsulfanyl-2-hydroxypropyl)sulfanylethylsulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-tert-butylsulfanyl-3-[2-(3-tert-butylsulfanyl-2-hydroxypropyl)sulfanylethylsulfanyl]propan-2-ol
PubChem CID22217673
Molecular FormulaC16H34O2S4
Molecular Weight386.71 g/mol
Exact Mass386.14
IUPAC Name1-tert-butylsulfanyl-3-[2-(3-tert-butylsulfanyl-2-hydroxypropyl)sulfanylethylsulfanyl]propan-2-ol
SMILESCC(C)(C)SCC(O)CSCCSCC(O)CSC(C)(C)C
InChIInChI=1S/C16H34O2S4/c1-15(2,3)21-11-13(17)9-19-7-8-20-10-14(18)12-22-16(4,5)6/h13-14,17-18H,7-12H2,1-6H3
InChIKeyLSLWFHMVBGJFMZ-UHFFFAOYSA-N
XLogP4.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.71
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-3-[2-(3-tert-butylsulfanyl-2-hydroxypropyl)sulfanylethylsulfanyl]propan-2-ol?
The IUPAC name of 1-tert-butylsulfanyl-3-[2-(3-tert-butylsulfanyl-2-hydroxypropyl)sulfanylethylsulfanyl]propan-2-ol (CID 22217673) is 1-tert-butylsulfanyl-3-[2-(3-tert-butylsulfanyl-2-hydroxypropyl)sulfanylethylsulfanyl]propan-2-ol.
What is the SMILES notation for 1-tert-butylsulfanyl-3-[2-(3-tert-butylsulfanyl-2-hydroxypropyl)sulfanylethylsulfanyl]propan-2-ol?
The canonical SMILES for 1-tert-butylsulfanyl-3-[2-(3-tert-butylsulfanyl-2-hydroxypropyl)sulfanylethylsulfanyl]propan-2-ol is CC(C)(C)SCC(O)CSCCSCC(O)CSC(C)(C)C.
What is the InChIKey of 1-tert-butylsulfanyl-3-[2-(3-tert-butylsulfanyl-2-hydroxypropyl)sulfanylethylsulfanyl]propan-2-ol?
The InChIKey is LSLWFHMVBGJFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2S4/c1-15(2,3)21-11-13(17)9-19-7-8-20-10-14(18)12-22-16(4,5)6/h13-14,17-18H,7-12H2,1-6H3.
What are the key properties of 1-tert-butylsulfanyl-3-[2-(3-tert-butylsulfanyl-2-hydroxypropyl)sulfanylethylsulfanyl]propan-2-ol?
1-tert-butylsulfanyl-3-[2-(3-tert-butylsulfanyl-2-hydroxypropyl)sulfanylethylsulfanyl]propan-2-ol has a molecular weight of 386.71 g/mol, XLogP of 4.24, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyl-3-[2-(3-tert-butylsulfanyl-2-hydroxypropyl)sulfanylethylsulfanyl]propan-2-ol is sourced from PubChem (CID 22217673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).