2-[1-(2-hydroxyethylsulfanyl)-2-methylpropyl]sulfanylethanol

C8H18O2S2 — CID 154121869

IUPAC2-[1-(2-hydroxyethylsulfanyl)-2-methylpropyl]sulfanylethanol
SMILESCC(C)C(SCCO)SCCO
InChIInChI=1S/C8H18O2S2/c1-7(2)8(11-5-3-9)12-6-4-10/h7-10H,3-6H2,1-2H3
InChIKeyNHTBTOIRAPZUMS-UHFFFAOYSA-N
MW210.36 g/mol
LogP1.42
Rot. Bonds7

About 2-[1-(2-hydroxyethylsulfanyl)-2-methylpropyl]sulfanylethanol

2-[1-(2-hydroxyethylsulfanyl)-2-methylpropyl]sulfanylethanol (PubChem CID 154121869) has the molecular formula C8H18O2S2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-[1-(2-hydroxyethylsulfanyl)-2-methylpropyl]sulfanylethanol.

Molecular Properties

Compound Name2-[1-(2-hydroxyethylsulfanyl)-2-methylpropyl]sulfanylethanol
PubChem CID154121869
Molecular FormulaC8H18O2S2
Molecular Weight210.36 g/mol
Exact Mass210.07
IUPAC Name2-[1-(2-hydroxyethylsulfanyl)-2-methylpropyl]sulfanylethanol
SMILESCC(C)C(SCCO)SCCO
InChIInChI=1S/C8H18O2S2/c1-7(2)8(11-5-3-9)12-6-4-10/h7-10H,3-6H2,1-2H3
InChIKeyNHTBTOIRAPZUMS-UHFFFAOYSA-N
XLogP1.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-2-(2-hydroxyethylsulfanyl)propyl]sulfanylethanol
CID 40543861
2-but-3-en-2-ylsulfanylethanol
CID 62382879
1-butylsulfanyl-1-(1-butylsulfanyl-2-methylpropyl)sulfanyl-2-methylpropane
CID 152715253
1-(2-hydroxyethylsulfanyl)butane-2,3-diol
CID 23362546
2-[2,3,4-tris(2-hydroxyethylsulfanyl)butylsulfanyl]ethanol
CID 54291740
disodium;2-(2-hydroxyethylsulfanyl)-1-phosphonatopropan-1-ol
CID 132510993
2-(1-ethylsulfanylbutylsulfanyl)ethanol
CID 87790352
2-(2,3-dimethylbutan-2-ylsulfanyl)ethanol
CID 54044607
2-(3-fluorobutylsulfanyl)ethanol
CID 130735395
3-(1-methoxypropan-2-ylsulfanyl)propan-1-ol
CID 66129136
2-(methylsulfanylmethylsulfanyl)ethanol
CID 20700707
N'-hydroxy-2-(2-hydroxyethylsulfanyl)butanimidamide
CID 76915973

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyethylsulfanyl)-2-methylpropyl]sulfanylethanol?
The IUPAC name of 2-[1-(2-hydroxyethylsulfanyl)-2-methylpropyl]sulfanylethanol (CID 154121869) is 2-[1-(2-hydroxyethylsulfanyl)-2-methylpropyl]sulfanylethanol.
What is the SMILES notation for 2-[1-(2-hydroxyethylsulfanyl)-2-methylpropyl]sulfanylethanol?
The canonical SMILES for 2-[1-(2-hydroxyethylsulfanyl)-2-methylpropyl]sulfanylethanol is CC(C)C(SCCO)SCCO.
What is the InChIKey of 2-[1-(2-hydroxyethylsulfanyl)-2-methylpropyl]sulfanylethanol?
The InChIKey is NHTBTOIRAPZUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2S2/c1-7(2)8(11-5-3-9)12-6-4-10/h7-10H,3-6H2,1-2H3.
What are the key properties of 2-[1-(2-hydroxyethylsulfanyl)-2-methylpropyl]sulfanylethanol?
2-[1-(2-hydroxyethylsulfanyl)-2-methylpropyl]sulfanylethanol has a molecular weight of 210.36 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyethylsulfanyl)-2-methylpropyl]sulfanylethanol is sourced from PubChem (CID 154121869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).