6-(2-methylsulfonylethylsulfanyl)hexan-1-ol

C9H20O3S2 — CID 103736336

IUPAC6-(2-methylsulfonylethylsulfanyl)hexan-1-ol
SMILESCS(=O)(=O)CCSCCCCCCO
InChIInChI=1S/C9H20O3S2/c1-14(11,12)9-8-13-7-5-3-2-4-6-10/h10H,2-9H2,1H3
InChIKeyIDAWHODVYCRTIN-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.32
Rot. Bonds9

About 6-(2-methylsulfonylethylsulfanyl)hexan-1-ol

6-(2-methylsulfonylethylsulfanyl)hexan-1-ol (PubChem CID 103736336) has the molecular formula C9H20O3S2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 6-(2-methylsulfonylethylsulfanyl)hexan-1-ol.

Molecular Properties

Compound Name6-(2-methylsulfonylethylsulfanyl)hexan-1-ol
PubChem CID103736336
Molecular FormulaC9H20O3S2
Molecular Weight240.39 g/mol
Exact Mass240.09
IUPAC Name6-(2-methylsulfonylethylsulfanyl)hexan-1-ol
SMILESCS(=O)(=O)CCSCCCCCCO
InChIInChI=1S/C9H20O3S2/c1-14(11,12)9-8-13-7-5-3-2-4-6-10/h10H,2-9H2,1H3
InChIKeyIDAWHODVYCRTIN-UHFFFAOYSA-N
XLogP1.32
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-(9-hydroxynonylsulfanyl)nonan-1-ol
CID 155127930
2-amino-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexan-1-ol
CID 64807333
2-[2-(2-methylsulfonylethylsulfanyl)ethoxy]ethanol
CID 63658130
2-amino-2-methyl-5-(2-methylsulfonylethylsulfanyl)pentan-1-ol
CID 64808162
8-pentylsulfanyloctan-1-ol
CID 86658436
5-(6-bromohexylsulfanyl)pentan-1-ol
CID 142704924
8-(6-hydroxyhexylsulfanyl)octanoic acid
CID 122401769
6-(5-hydroxypentylsulfanyl)hexanoic acid
CID 57108530
N-(2-hydroxyethyl)-2-(2-methylsulfonylethylsulfanyl)acetamide
CID 63658127
N-[3-(2-methylsulfonylethylsulfanyl)propyl]cyclopropanamine
CID 63658882
2,2-dimethyl-5-(2-methylsulfonylethylsulfanyl)pentanenitrile
CID 65257823
5-[5-(5-hydroxypentylselanyl)pentylsulfanyl]pentan-1-ol
CID 101478203

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylsulfonylethylsulfanyl)hexan-1-ol?
The IUPAC name of 6-(2-methylsulfonylethylsulfanyl)hexan-1-ol (CID 103736336) is 6-(2-methylsulfonylethylsulfanyl)hexan-1-ol.
What is the SMILES notation for 6-(2-methylsulfonylethylsulfanyl)hexan-1-ol?
The canonical SMILES for 6-(2-methylsulfonylethylsulfanyl)hexan-1-ol is CS(=O)(=O)CCSCCCCCCO.
What is the InChIKey of 6-(2-methylsulfonylethylsulfanyl)hexan-1-ol?
The InChIKey is IDAWHODVYCRTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3S2/c1-14(11,12)9-8-13-7-5-3-2-4-6-10/h10H,2-9H2,1H3.
What are the key properties of 6-(2-methylsulfonylethylsulfanyl)hexan-1-ol?
6-(2-methylsulfonylethylsulfanyl)hexan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 1.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylsulfonylethylsulfanyl)hexan-1-ol is sourced from PubChem (CID 103736336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).