1-octylsulfanylpropan-2-ol

C11H24OS — CID 10058758

IUPAC1-octylsulfanylpropan-2-ol
SMILESCCCCCCCCSCC(C)O
InChIInChI=1S/C11H24OS/c1-3-4-5-6-7-8-9-13-10-11(2)12/h11-12H,3-10H2,1-2H3
InChIKeyREQSFRGCSUKMJO-UHFFFAOYSA-N
MW204.38 g/mol
LogP3.46
Rot. Bonds9

About 1-octylsulfanylpropan-2-ol

1-octylsulfanylpropan-2-ol (PubChem CID 10058758) has the molecular formula C11H24OS and a molecular weight of 204.38 g/mol. Its IUPAC name is 1-octylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-octylsulfanylpropan-2-ol
PubChem CID10058758
Molecular FormulaC11H24OS
Molecular Weight204.38 g/mol
Exact Mass204.15
IUPAC Name1-octylsulfanylpropan-2-ol
SMILESCCCCCCCCSCC(C)O
InChIInChI=1S/C11H24OS/c1-3-4-5-6-7-8-9-13-10-11(2)12/h11-12H,3-10H2,1-2H3
InChIKeyREQSFRGCSUKMJO-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Octylthio)ethanol
CID 19079
Tiadenol
CID 23403
2-(Decylthio)ethanol
CID 96654
Ethanol, 2-(dodecylthio)-
CID 73835
2-(Hexylthio)ethanol
CID 90519
(S)-1,1,1-Trifluoro-3-(octylthio)-2-propanol
CID 23586157
1,2-Propanediol, 3-(dodecylthio)-
CID 86648
1-(Butylsulfanyl)propan-2-ol
CID 3041052
2-Hydroxyethyl heptyl sulfide
CID 141326
1-(Decylsulfanyl)propan-2-ol
CID 3024791
2-(Octadecylsulfanyl)ethan-1-ol
CID 305444
1-(Dodecylthio)-2-propanol
CID 62290

Frequently Asked Questions

What is the IUPAC name of 1-octylsulfanylpropan-2-ol?
The IUPAC name of 1-octylsulfanylpropan-2-ol (CID 10058758) is 1-octylsulfanylpropan-2-ol.
What is the SMILES notation for 1-octylsulfanylpropan-2-ol?
The canonical SMILES for 1-octylsulfanylpropan-2-ol is CCCCCCCCSCC(C)O.
What is the InChIKey of 1-octylsulfanylpropan-2-ol?
The InChIKey is REQSFRGCSUKMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24OS/c1-3-4-5-6-7-8-9-13-10-11(2)12/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-octylsulfanylpropan-2-ol?
1-octylsulfanylpropan-2-ol has a molecular weight of 204.38 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octylsulfanylpropan-2-ol is sourced from PubChem (CID 10058758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).