2-(3-butoxypropylsulfanyl)ethanol

C9H20O2S — CID 57261979

IUPAC2-(3-butoxypropylsulfanyl)ethanol
SMILESCCCCOCCCSCCO
InChIInChI=1S/C9H20O2S/c1-2-3-6-11-7-4-8-12-9-5-10/h10H,2-9H2,1H3
InChIKeyAFZRTXHWOPXBKX-UHFFFAOYSA-N
MW192.32 g/mol
LogP1.92
Rot. Bonds9

About 2-(3-butoxypropylsulfanyl)ethanol

2-(3-butoxypropylsulfanyl)ethanol (PubChem CID 57261979) has the molecular formula C9H20O2S and a molecular weight of 192.32 g/mol. Its IUPAC name is 2-(3-butoxypropylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(3-butoxypropylsulfanyl)ethanol
PubChem CID57261979
Molecular FormulaC9H20O2S
Molecular Weight192.32 g/mol
Exact Mass192.12
IUPAC Name2-(3-butoxypropylsulfanyl)ethanol
SMILESCCCCOCCCSCCO
InChIInChI=1S/C9H20O2S/c1-2-3-6-11-7-4-8-12-9-5-10/h10H,2-9H2,1H3
InChIKeyAFZRTXHWOPXBKX-UHFFFAOYSA-N
XLogP1.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-butylsulfanylethoxy)ethanol
CID 3743869
1-[2-[2-[2-(2-butylsulfanylethoxy)ethoxy]ethoxy]ethoxy]butane
CID 4194759
2-pentadecylsulfanylethanol
CID 13120338
2-butoxyethanol;molecular nitrogen
CID 86737982
1-butoxybutane;3-butoxypropan-1-ol
CID 174728954
butan-1-ol;1-butoxybutane
CID 19700093
2-butoxyethanol
CID 8133
2-[2-(2-heptylsulfanylethoxy)ethoxy]ethanol
CID 20788584
2-[2-(2-dodecylsulfanylethoxy)ethoxy]ethanol
CID 100932601
3-(3-octadecylsulfanylpropoxy)-2,2-bis(3-octadecylsulfanylpropoxymethyl)propan-1-ol
CID 57307521
1-[2-[3-[6-[2-[3-[6-[2-[3-[6-[2-[3-[6-[2-[3-[6-[2-[3-[6-[2-(3-pentylsulfanylpropoxy)ethoxy]hexylsulfanyl]propoxy]ethoxy]hexylsulfanyl]propoxy]ethoxy]hexylsulfanyl]propoxy]ethoxy]hexylsulfanyl]propoxy]ethoxy]hexylsulfanyl]propoxy]ethoxy]hexylsulfanyl]propoxy]ethoxy]-6-[3-(2-propoxyethoxy)propylsulfanyl]hexane
CID 157087249
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol
CID 18459544

Frequently Asked Questions

What is the IUPAC name of 2-(3-butoxypropylsulfanyl)ethanol?
The IUPAC name of 2-(3-butoxypropylsulfanyl)ethanol (CID 57261979) is 2-(3-butoxypropylsulfanyl)ethanol.
What is the SMILES notation for 2-(3-butoxypropylsulfanyl)ethanol?
The canonical SMILES for 2-(3-butoxypropylsulfanyl)ethanol is CCCCOCCCSCCO.
What is the InChIKey of 2-(3-butoxypropylsulfanyl)ethanol?
The InChIKey is AFZRTXHWOPXBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2S/c1-2-3-6-11-7-4-8-12-9-5-10/h10H,2-9H2,1H3.
What are the key properties of 2-(3-butoxypropylsulfanyl)ethanol?
2-(3-butoxypropylsulfanyl)ethanol has a molecular weight of 192.32 g/mol, XLogP of 1.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butoxypropylsulfanyl)ethanol is sourced from PubChem (CID 57261979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).