4-hydroxysulfanyl-2-methylbutan-2-ol

C5H12O2S — CID 174298053

IUPAC4-hydroxysulfanyl-2-methylbutan-2-ol
SMILESCC(C)(O)CCSO
InChIInChI=1S/C5H12O2S/c1-5(2,6)3-4-8-7/h6-7H,3-4H2,1-2H3
InChIKeyXPRCDQVEGGINPQ-UHFFFAOYSA-N
MW136.22 g/mol
LogP1.35
Rot. Bonds3

About 4-hydroxysulfanyl-2-methylbutan-2-ol

4-hydroxysulfanyl-2-methylbutan-2-ol (PubChem CID 174298053) has the molecular formula C5H12O2S and a molecular weight of 136.22 g/mol. Its IUPAC name is 4-hydroxysulfanyl-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-hydroxysulfanyl-2-methylbutan-2-ol
PubChem CID174298053
Molecular FormulaC5H12O2S
Molecular Weight136.22 g/mol
Exact Mass136.06
IUPAC Name4-hydroxysulfanyl-2-methylbutan-2-ol
SMILESCC(C)(O)CCSO
InChIInChI=1S/C5H12O2S/c1-5(2,6)3-4-8-7/h6-7H,3-4H2,1-2H3
InChIKeyXPRCDQVEGGINPQ-UHFFFAOYSA-N
XLogP1.35
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.22
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diol;3-methylbutane-1,3-diol
CID 174420399
(3-hydroxy-3-methylbutyl) N,N-diethylcarbamodithioate
CID 111753425
3-ethyl-6-hydroxysulfanyl-4,4-dimethylhexan-1-ol
CID 89219680
2-amino-5-methylhexane-2,5-diol
CID 175528069
ethyl 2-(3-hydroxy-3-methylbutyl)sulfanylacetate
CID 79176458
(2S)-2-amino-3-(3-hydroxy-3-methylbutyl)sulfanyl-3-methylbutanoic acid
CID 106443558
4-(2-aminophenyl)sulfanyl-2-methylbutan-2-ol
CID 79356210
2-methyl-4-thiophen-2-ylsulfanylbutan-2-ol
CID 79361582
2-methylpropan-2-ol;molybdenum
CID 174435313
4-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol
CID 79176960
2-methylhexan-2-ol;yttrium
CID 58823506
gold;2-methylhexan-2-ol
CID 18513333

Frequently Asked Questions

What is the IUPAC name of 4-hydroxysulfanyl-2-methylbutan-2-ol?
The IUPAC name of 4-hydroxysulfanyl-2-methylbutan-2-ol (CID 174298053) is 4-hydroxysulfanyl-2-methylbutan-2-ol.
What is the SMILES notation for 4-hydroxysulfanyl-2-methylbutan-2-ol?
The canonical SMILES for 4-hydroxysulfanyl-2-methylbutan-2-ol is CC(C)(O)CCSO.
What is the InChIKey of 4-hydroxysulfanyl-2-methylbutan-2-ol?
The InChIKey is XPRCDQVEGGINPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2S/c1-5(2,6)3-4-8-7/h6-7H,3-4H2,1-2H3.
What are the key properties of 4-hydroxysulfanyl-2-methylbutan-2-ol?
4-hydroxysulfanyl-2-methylbutan-2-ol has a molecular weight of 136.22 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxysulfanyl-2-methylbutan-2-ol is sourced from PubChem (CID 174298053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).