3-[(3-hydroxy-2,2-dimethylpropyl)disulfanyl]-2,2-dimethylpropan-1-ol

C10H22O2S2 — CID 549965

IUPAC3-[(3-hydroxy-2,2-dimethylpropyl)disulfanyl]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CSSCC(C)(C)CO
InChIInChI=1S/C10H22O2S2/c1-9(2,5-11)7-13-14-8-10(3,4)6-12/h11-12H,5-8H2,1-4H3
InChIKeyQCZWKNFFYVBLKQ-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.40
Rot. Bonds7

About 3-[(3-hydroxy-2,2-dimethylpropyl)disulfanyl]-2,2-dimethylpropan-1-ol

3-[(3-hydroxy-2,2-dimethylpropyl)disulfanyl]-2,2-dimethylpropan-1-ol (PubChem CID 549965) has the molecular formula C10H22O2S2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 3-[(3-hydroxy-2,2-dimethylpropyl)disulfanyl]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(3-hydroxy-2,2-dimethylpropyl)disulfanyl]-2,2-dimethylpropan-1-ol
PubChem CID549965
Molecular FormulaC10H22O2S2
Molecular Weight238.42 g/mol
Exact Mass238.11
IUPAC Name3-[(3-hydroxy-2,2-dimethylpropyl)disulfanyl]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CSSCC(C)(C)CO
InChIInChI=1S/C10H22O2S2/c1-9(2,5-11)7-13-14-8-10(3,4)6-12/h11-12H,5-8H2,1-4H3
InChIKeyQCZWKNFFYVBLKQ-UHFFFAOYSA-N
XLogP2.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(3-hydroxy-2,2-dimethylpropyl)disulfanyl]-2,2-dimethylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethanol, 2,2',2''-[(butylstannylidyne)tris(thio)]tris-
CID 116862
Ethanol, 2,2'-((dibutylstannylene)bis(thio))bis-
CID 9575818
2-[(1-Hydroxy-2-methylpropan-2-yl)disulfanyl]-2-methylpropan-1-ol
CID 15061983
4,4'-Dithiobisbutan-1-ol
CID 121715
2-Sulfanylpropan-1-ol;3-sulfanylpropan-1-ol
CID 73555436
bis-[3,3-(2-Methylpropanol-1)] disulfide
CID 529080
3-[(1,1-Dimethylethyl)dithio]-1-propanol
CID 14965508
4-(tert-Butyldisulfaneyl)butan-1-ol
CID 14965509
Butyltin(3+);tris(2-hydroxyethanethiolate)
CID 16056919
Dibutyltin(2+);bis(2-hydroxyethanethiolate)
CID 16058381
Antimony(3+);tris(3-hydroxypropane-1-thiolate)
CID 19855667
1-(2-Hydroxybutyltrisulfanyl)butan-2-ol
CID 20201154

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-2,2-dimethylpropyl)disulfanyl]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(3-hydroxy-2,2-dimethylpropyl)disulfanyl]-2,2-dimethylpropan-1-ol (CID 549965) is 3-[(3-hydroxy-2,2-dimethylpropyl)disulfanyl]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(3-hydroxy-2,2-dimethylpropyl)disulfanyl]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(3-hydroxy-2,2-dimethylpropyl)disulfanyl]-2,2-dimethylpropan-1-ol is CC(C)(CO)CSSCC(C)(C)CO.
What is the InChIKey of 3-[(3-hydroxy-2,2-dimethylpropyl)disulfanyl]-2,2-dimethylpropan-1-ol?
The InChIKey is QCZWKNFFYVBLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2S2/c1-9(2,5-11)7-13-14-8-10(3,4)6-12/h11-12H,5-8H2,1-4H3.
What are the key properties of 3-[(3-hydroxy-2,2-dimethylpropyl)disulfanyl]-2,2-dimethylpropan-1-ol?
3-[(3-hydroxy-2,2-dimethylpropyl)disulfanyl]-2,2-dimethylpropan-1-ol has a molecular weight of 238.42 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-2,2-dimethylpropyl)disulfanyl]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 549965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).