trihydroxy(2-methylpropyl)-λ4-sulfane

C4H12O3S — CID 141378076

IUPACtrihydroxy(2-methylpropyl)-λ4-sulfane
SMILESCC(C)CS(O)(O)O
InChIInChI=1S/C4H12O3S/c1-4(2)3-8(5,6)7/h4-7H,3H2,1-2H3
InChIKeyVYBPVXLEUMYDQL-UHFFFAOYSA-N
MW140.20 g/mol
LogP1.87
Rot. Bonds2

About trihydroxy(2-methylpropyl)-λ4-sulfane

trihydroxy(2-methylpropyl)-λ4-sulfane (PubChem CID 141378076) has the molecular formula C4H12O3S and a molecular weight of 140.20 g/mol. Its IUPAC name is trihydroxy(2-methylpropyl)-λ4-sulfane.

Molecular Properties

Compound Nametrihydroxy(2-methylpropyl)-λ4-sulfane
PubChem CID141378076
Molecular FormulaC4H12O3S
Molecular Weight140.20 g/mol
Exact Mass140.05
IUPAC Nametrihydroxy(2-methylpropyl)-λ4-sulfane
SMILESCC(C)CS(O)(O)O
InChIInChI=1S/C4H12O3S/c1-4(2)3-8(5,6)7/h4-7H,3H2,1-2H3
InChIKeyVYBPVXLEUMYDQL-UHFFFAOYSA-N
XLogP1.87
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.20
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methanamine;2-methylpropane-1-sulfonic acid
CID 172748561
ethyl-hydroxy-methyl-(2-methylpropyl)-λ4-sulfane
CID 58695816
N-[dihydroxy(2-methylpropyl)-λ4-sulfanyl]-N,2-dimethylpropan-1-amine
CID 177155669
acetic acid;methanamine;2-methylpropane-1-sulfonic acid
CID 174998027
2-methylpropane-1-sulfonamide
CID 10197726
2-(2-methylpropylsulfonyl)ethanol
CID 22979545
1-(2,2-dimethoxyethylsulfonyl)-2-methylpropane
CID 66221977
bicyclo[3.1.1]heptane;2-methylpropane-1-sulfonic acid
CID 175440767
methyl-methylidene-(2-methylpropyl)-oxo-λ6-sulfane
CID 147389699
azane;2-methyl-1-methylsulfonylpropane;hydrochloride
CID 87536413
sulfuric acid;tetramethylphosphanium
CID 87132357
2-methylbut-2-enamide;2-methylpropane-1-sulfonic acid
CID 175591238

Frequently Asked Questions

What is the IUPAC name of trihydroxy(2-methylpropyl)-λ4-sulfane?
The IUPAC name of trihydroxy(2-methylpropyl)-λ4-sulfane (CID 141378076) is trihydroxy(2-methylpropyl)-λ4-sulfane.
What is the SMILES notation for trihydroxy(2-methylpropyl)-λ4-sulfane?
The canonical SMILES for trihydroxy(2-methylpropyl)-λ4-sulfane is CC(C)CS(O)(O)O.
What is the InChIKey of trihydroxy(2-methylpropyl)-λ4-sulfane?
The InChIKey is VYBPVXLEUMYDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12O3S/c1-4(2)3-8(5,6)7/h4-7H,3H2,1-2H3.
What are the key properties of trihydroxy(2-methylpropyl)-λ4-sulfane?
trihydroxy(2-methylpropyl)-λ4-sulfane has a molecular weight of 140.20 g/mol, XLogP of 1.87, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy(2-methylpropyl)-λ4-sulfane is sourced from PubChem (CID 141378076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).