2-pentylsulfanylprop-2-en-1-ol

C8H16OS — CID 13331386

IUPAC2-pentylsulfanylprop-2-en-1-ol
SMILESC=C(CO)SCCCCC
InChIInChI=1S/C8H16OS/c1-3-4-5-6-10-8(2)7-9/h9H,2-7H2,1H3
InChIKeyMPOGFVNDCDTNAL-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.42
Rot. Bonds6

About 2-pentylsulfanylprop-2-en-1-ol

2-pentylsulfanylprop-2-en-1-ol (PubChem CID 13331386) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 2-pentylsulfanylprop-2-en-1-ol.

Molecular Properties

Compound Name2-pentylsulfanylprop-2-en-1-ol
PubChem CID13331386
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name2-pentylsulfanylprop-2-en-1-ol
SMILESC=C(CO)SCCCCC
InChIInChI=1S/C8H16OS/c1-3-4-5-6-10-8(2)7-9/h9H,2-7H2,1H3
InChIKeyMPOGFVNDCDTNAL-UHFFFAOYSA-N
XLogP2.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.42
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-Propylsulfanylprop-2-en-1-ol
CID 13331382
2-Ethylsulfanylprop-2-en-1-ol
CID 13331381
2-Butan-2-ylsulfanylprop-2-en-1-ol
CID 13331385
(Z)-3-pentylsulfanylprop-2-en-1-ol
CID 13331402
Cdhdjniwsxngbx-uhfffaoysa-
CID 13331408
2-Butylsulfanylprop-2-en-1-ol
CID 15575918
2-Dodecylsulfanylprop-2-en-1-ol
CID 11149597
(E)-3-octylsulfanylbut-2-en-1-ol
CID 19843655
2-[4-(2-Hydroxyethylsulfanyl)butylsulfanyl]prop-2-en-1-ol
CID 21133536
3-Octylsulfanylbut-2-en-1-ol
CID 53763022
3-Hexylthio-2-propenol
CID 54232710
(Z)-3-octylsulfanylbut-2-en-1-ol
CID 88619220

Frequently Asked Questions

What is the IUPAC name of 2-pentylsulfanylprop-2-en-1-ol?
The IUPAC name of 2-pentylsulfanylprop-2-en-1-ol (CID 13331386) is 2-pentylsulfanylprop-2-en-1-ol.
What is the SMILES notation for 2-pentylsulfanylprop-2-en-1-ol?
The canonical SMILES for 2-pentylsulfanylprop-2-en-1-ol is C=C(CO)SCCCCC.
What is the InChIKey of 2-pentylsulfanylprop-2-en-1-ol?
The InChIKey is MPOGFVNDCDTNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-3-4-5-6-10-8(2)7-9/h9H,2-7H2,1H3.
What are the key properties of 2-pentylsulfanylprop-2-en-1-ol?
2-pentylsulfanylprop-2-en-1-ol has a molecular weight of 160.28 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylsulfanylprop-2-en-1-ol is sourced from PubChem (CID 13331386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).