2-butan-2-ylsulfanylprop-2-en-1-ol

C7H14OS — CID 13331385

IUPAC2-butan-2-ylsulfanylprop-2-en-1-ol
SMILESC=C(CO)SC(C)CC
InChIInChI=1S/C7H14OS/c1-4-6(2)9-7(3)5-8/h6,8H,3-5H2,1-2H3
InChIKeyYUIXAHJZUWBIHD-UHFFFAOYSA-N
MW146.25 g/mol
LogP2.02
Rot. Bonds4

About 2-butan-2-ylsulfanylprop-2-en-1-ol

2-butan-2-ylsulfanylprop-2-en-1-ol (PubChem CID 13331385) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 2-butan-2-ylsulfanylprop-2-en-1-ol.

Molecular Properties

Compound Name2-butan-2-ylsulfanylprop-2-en-1-ol
PubChem CID13331385
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name2-butan-2-ylsulfanylprop-2-en-1-ol
SMILESC=C(CO)SC(C)CC
InChIInChI=1S/C7H14OS/c1-4-6(2)9-7(3)5-8/h6,8H,3-5H2,1-2H3
InChIKeyYUIXAHJZUWBIHD-UHFFFAOYSA-N
XLogP2.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-methylsulfanylprop-2-en-1-ol
CID 13023534
(2R)-2-(2-methylprop-2-enylsulfanyl)propan-1-ol
CID 10866481
(Z)-3-methylsulfanylprop-2-en-1-ol
CID 13023535
2-Methylsulfanylprop-2-en-1-ol
CID 13331380
2-Propylsulfanylprop-2-en-1-ol
CID 13331382
(5,6-Dihydro-1,4-dithiin-2-yl)methanol
CID 10725505
(Z)-2,3-bis(methylsulfanyl)prop-2-en-1-ol
CID 12170649
(e)-2,2'-(Prop-1-ene-1,2-diylbis(sulfanediyl))bis(ethan-1-ol)
CID 177923931
(z)-2,2'-(Prop-1-ene-1,2-diylbis(sulfanediyl))bis(ethan-1-ol)
CID 177923932
2-Propen-1-ol, 3-(2-propenylthio)
CID 5352856
2-Ethylsulfanylprop-2-en-1-ol
CID 13331381
2-Pentylsulfanylprop-2-en-1-ol
CID 13331386

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanylprop-2-en-1-ol?
The IUPAC name of 2-butan-2-ylsulfanylprop-2-en-1-ol (CID 13331385) is 2-butan-2-ylsulfanylprop-2-en-1-ol.
What is the SMILES notation for 2-butan-2-ylsulfanylprop-2-en-1-ol?
The canonical SMILES for 2-butan-2-ylsulfanylprop-2-en-1-ol is C=C(CO)SC(C)CC.
What is the InChIKey of 2-butan-2-ylsulfanylprop-2-en-1-ol?
The InChIKey is YUIXAHJZUWBIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-4-6(2)9-7(3)5-8/h6,8H,3-5H2,1-2H3.
What are the key properties of 2-butan-2-ylsulfanylprop-2-en-1-ol?
2-butan-2-ylsulfanylprop-2-en-1-ol has a molecular weight of 146.25 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanylprop-2-en-1-ol is sourced from PubChem (CID 13331385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).