2-propan-2-ylsulfanylprop-2-en-1-ol

C6H12OS — CID 13331383

IUPAC2-propan-2-ylsulfanylprop-2-en-1-ol
SMILESC=C(CO)SC(C)C
InChIInChI=1S/C6H12OS/c1-5(2)8-6(3)4-7/h5,7H,3-4H2,1-2H3
InChIKeyNSPIZFYZDJYLTR-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.63
Rot. Bonds3

About 2-propan-2-ylsulfanylprop-2-en-1-ol

2-propan-2-ylsulfanylprop-2-en-1-ol (PubChem CID 13331383) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 2-propan-2-ylsulfanylprop-2-en-1-ol.

Molecular Properties

Compound Name2-propan-2-ylsulfanylprop-2-en-1-ol
PubChem CID13331383
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name2-propan-2-ylsulfanylprop-2-en-1-ol
SMILESC=C(CO)SC(C)C
InChIInChI=1S/C6H12OS/c1-5(2)8-6(3)4-7/h5,7H,3-4H2,1-2H3
InChIKeyNSPIZFYZDJYLTR-UHFFFAOYSA-N
XLogP1.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-methylsulfanylprop-2-en-1-ol
CID 13023534
2-(2-Buten-1-ylthio)ethanol
CID 3019037
2-(2-Butenylthio)ethanol
CID 6365819
(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
2-Chloro-3-(2'-hydroxyethylsulfanyl)prop-1-ene
CID 129747137
(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

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanylprop-2-en-1-ol?
The IUPAC name of 2-propan-2-ylsulfanylprop-2-en-1-ol (CID 13331383) is 2-propan-2-ylsulfanylprop-2-en-1-ol.
What is the SMILES notation for 2-propan-2-ylsulfanylprop-2-en-1-ol?
The canonical SMILES for 2-propan-2-ylsulfanylprop-2-en-1-ol is C=C(CO)SC(C)C.
What is the InChIKey of 2-propan-2-ylsulfanylprop-2-en-1-ol?
The InChIKey is NSPIZFYZDJYLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-5(2)8-6(3)4-7/h5,7H,3-4H2,1-2H3.
What are the key properties of 2-propan-2-ylsulfanylprop-2-en-1-ol?
2-propan-2-ylsulfanylprop-2-en-1-ol has a molecular weight of 132.23 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanylprop-2-en-1-ol is sourced from PubChem (CID 13331383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).