ethyl-hydroxy-methyl-(2-methylpropyl)-λ4-sulfane

C7H18OS — CID 58695816

IUPACethyl-hydroxy-methyl-(2-methylpropyl)-λ4-sulfane
SMILESCCS(C)(O)CC(C)C
InChIInChI=1S/C7H18OS/c1-5-9(4,8)6-7(2)3/h7-8H,5-6H2,1-4H3
InChIKeyYVEZQQHMNVRXPO-UHFFFAOYSA-N
MW150.29 g/mol
LogP2.57
Rot. Bonds3

About ethyl-hydroxy-methyl-(2-methylpropyl)-λ4-sulfane

ethyl-hydroxy-methyl-(2-methylpropyl)-λ4-sulfane (PubChem CID 58695816) has the molecular formula C7H18OS and a molecular weight of 150.29 g/mol. Its IUPAC name is ethyl-hydroxy-methyl-(2-methylpropyl)-λ4-sulfane.

Molecular Properties

Compound Nameethyl-hydroxy-methyl-(2-methylpropyl)-λ4-sulfane
PubChem CID58695816
Molecular FormulaC7H18OS
Molecular Weight150.29 g/mol
Exact Mass150.11
IUPAC Nameethyl-hydroxy-methyl-(2-methylpropyl)-λ4-sulfane
SMILESCCS(C)(O)CC(C)C
InChIInChI=1S/C7H18OS/c1-5-9(4,8)6-7(2)3/h7-8H,5-6H2,1-4H3
InChIKeyYVEZQQHMNVRXPO-UHFFFAOYSA-N
XLogP2.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trihydroxy(2-methylpropyl)-λ4-sulfane
CID 141378076
methanamine;2-methylpropane-1-sulfonic acid
CID 172748561
methyl-methylidene-(2-methylpropyl)-oxo-λ6-sulfane
CID 147389699
azane;2-methyl-1-methylsulfonylpropane;hydrochloride
CID 87536413
ethyl-imino-(2-methylpropyl)-oxo-λ6-sulfane
CID 125455135
sulfuric acid;triethyl(methyl)phosphanium
CID 174902291
acetic acid;methanamine;2-methylpropane-1-sulfonic acid
CID 174998027
heptane;propan-2-ol;sulfuric acid
CID 87329461
sulfuric acid;tetramethylphosphanium
CID 87132357
2-methylpropane-1-sulfonamide
CID 10197726
decan-2-amine;2-methylpropane-1-sulfonic acid
CID 161374900
dimethyl-(2-methylpropyl)-pentan-2-yl-λ4-sulfane
CID 123444317

Frequently Asked Questions

What is the IUPAC name of ethyl-hydroxy-methyl-(2-methylpropyl)-λ4-sulfane?
The IUPAC name of ethyl-hydroxy-methyl-(2-methylpropyl)-λ4-sulfane (CID 58695816) is ethyl-hydroxy-methyl-(2-methylpropyl)-λ4-sulfane.
What is the SMILES notation for ethyl-hydroxy-methyl-(2-methylpropyl)-λ4-sulfane?
The canonical SMILES for ethyl-hydroxy-methyl-(2-methylpropyl)-λ4-sulfane is CCS(C)(O)CC(C)C.
What is the InChIKey of ethyl-hydroxy-methyl-(2-methylpropyl)-λ4-sulfane?
The InChIKey is YVEZQQHMNVRXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18OS/c1-5-9(4,8)6-7(2)3/h7-8H,5-6H2,1-4H3.
What are the key properties of ethyl-hydroxy-methyl-(2-methylpropyl)-λ4-sulfane?
ethyl-hydroxy-methyl-(2-methylpropyl)-λ4-sulfane has a molecular weight of 150.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-hydroxy-methyl-(2-methylpropyl)-λ4-sulfane is sourced from PubChem (CID 58695816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).