2-(2,2-dimethylpropyldisulfanyl)ethanol

C7H16OS2 — CID 59911751

IUPAC2-(2,2-dimethylpropyldisulfanyl)ethanol
SMILESCC(C)(C)CSSCCO
InChIInChI=1S/C7H16OS2/c1-7(2,3)6-10-9-5-4-8/h8H,4-6H2,1-3H3
InChIKeyABFIGNIBNMLWTF-UHFFFAOYSA-N
MW180.34 g/mol
LogP2.41
Rot. Bonds4

About 2-(2,2-dimethylpropyldisulfanyl)ethanol

2-(2,2-dimethylpropyldisulfanyl)ethanol (PubChem CID 59911751) has the molecular formula C7H16OS2 and a molecular weight of 180.34 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyldisulfanyl)ethanol.

Molecular Properties

Compound Name2-(2,2-dimethylpropyldisulfanyl)ethanol
PubChem CID59911751
Molecular FormulaC7H16OS2
Molecular Weight180.34 g/mol
Exact Mass180.06
IUPAC Name2-(2,2-dimethylpropyldisulfanyl)ethanol
SMILESCC(C)(C)CSSCCO
InChIInChI=1S/C7H16OS2/c1-7(2,3)6-10-9-5-4-8/h8H,4-6H2,1-3H3
InChIKeyABFIGNIBNMLWTF-UHFFFAOYSA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dimethyl-3-sulfanylpropan-1-ol
CID 331837
3-(Methyldisulfanyl)propan-1-ol
CID 86053359
2-(Tert-butyldisulfanyl)ethan-1-ol
CID 14965536
2-((Butylthioxostannyl)thio)ethanol
CID 16684526
2-(Propan-2-yltrisulfanyl)ethanol
CID 13291755
Propanol, 3,3'-dithiobis[2,2-dimethyl-
CID 549965
3-Mercapto-2,2-bis(mercaptomethyl)propan-1-ol
CID 227997
Ethanol, 2-(propyldithio)-
CID 11977395
3-[(1,1-Dimethylethyl)dithio]-1-propanol
CID 14965508
4-(tert-Butyldisulfaneyl)butan-1-ol
CID 14965509
Butyltin(3+);2-hydroxyethanethiolate;sulfide
CID 20287418
1-(Propyldisulfanyl)ethanol
CID 21303835

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyldisulfanyl)ethanol?
The IUPAC name of 2-(2,2-dimethylpropyldisulfanyl)ethanol (CID 59911751) is 2-(2,2-dimethylpropyldisulfanyl)ethanol.
What is the SMILES notation for 2-(2,2-dimethylpropyldisulfanyl)ethanol?
The canonical SMILES for 2-(2,2-dimethylpropyldisulfanyl)ethanol is CC(C)(C)CSSCCO.
What is the InChIKey of 2-(2,2-dimethylpropyldisulfanyl)ethanol?
The InChIKey is ABFIGNIBNMLWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OS2/c1-7(2,3)6-10-9-5-4-8/h8H,4-6H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyldisulfanyl)ethanol?
2-(2,2-dimethylpropyldisulfanyl)ethanol has a molecular weight of 180.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyldisulfanyl)ethanol is sourced from PubChem (CID 59911751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).