2-pentan-3-ylsulfanylprop-2-en-1-ol

C8H16OS — CID 13331388

IUPAC2-pentan-3-ylsulfanylprop-2-en-1-ol
SMILESC=C(CO)SC(CC)CC
InChIInChI=1S/C8H16OS/c1-4-8(5-2)10-7(3)6-9/h8-9H,3-6H2,1-2H3
InChIKeyMUDMJONOBRQHDE-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.41
Rot. Bonds5

About 2-pentan-3-ylsulfanylprop-2-en-1-ol

2-pentan-3-ylsulfanylprop-2-en-1-ol (PubChem CID 13331388) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 2-pentan-3-ylsulfanylprop-2-en-1-ol.

Molecular Properties

Compound Name2-pentan-3-ylsulfanylprop-2-en-1-ol
PubChem CID13331388
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name2-pentan-3-ylsulfanylprop-2-en-1-ol
SMILESC=C(CO)SC(CC)CC
InChIInChI=1S/C8H16OS/c1-4-8(5-2)10-7(3)6-9/h8-9H,3-6H2,1-2H3
InChIKeyMUDMJONOBRQHDE-UHFFFAOYSA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
2-Pentylsulfanylprop-2-en-1-ol
CID 13331386
(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

Frequently Asked Questions

What is the IUPAC name of 2-pentan-3-ylsulfanylprop-2-en-1-ol?
The IUPAC name of 2-pentan-3-ylsulfanylprop-2-en-1-ol (CID 13331388) is 2-pentan-3-ylsulfanylprop-2-en-1-ol.
What is the SMILES notation for 2-pentan-3-ylsulfanylprop-2-en-1-ol?
The canonical SMILES for 2-pentan-3-ylsulfanylprop-2-en-1-ol is C=C(CO)SC(CC)CC.
What is the InChIKey of 2-pentan-3-ylsulfanylprop-2-en-1-ol?
The InChIKey is MUDMJONOBRQHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-4-8(5-2)10-7(3)6-9/h8-9H,3-6H2,1-2H3.
What are the key properties of 2-pentan-3-ylsulfanylprop-2-en-1-ol?
2-pentan-3-ylsulfanylprop-2-en-1-ol has a molecular weight of 160.28 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-3-ylsulfanylprop-2-en-1-ol is sourced from PubChem (CID 13331388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).