2-methylsulfanylprop-2-en-1-ol

C4H8OS — CID 13331380

IUPAC2-methylsulfanylprop-2-en-1-ol
SMILESC=C(CO)SC
InChIInChI=1S/C4H8OS/c1-4(3-5)6-2/h5H,1,3H2,2H3
InChIKeyANKCEJFTOLNZLZ-UHFFFAOYSA-N
MW104.17 g/mol
LogP0.86
Rot. Bonds2

About 2-methylsulfanylprop-2-en-1-ol

2-methylsulfanylprop-2-en-1-ol (PubChem CID 13331380) has the molecular formula C4H8OS and a molecular weight of 104.17 g/mol. Its IUPAC name is 2-methylsulfanylprop-2-en-1-ol.

Molecular Properties

Compound Name2-methylsulfanylprop-2-en-1-ol
PubChem CID13331380
Molecular FormulaC4H8OS
Molecular Weight104.17 g/mol
Exact Mass104.03
IUPAC Name2-methylsulfanylprop-2-en-1-ol
SMILESC=C(CO)SC
InChIInChI=1S/C4H8OS/c1-4(3-5)6-2/h5H,1,3H2,2H3
InChIKeyANKCEJFTOLNZLZ-UHFFFAOYSA-N
XLogP0.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.17
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-methylsulfanylprop-2-en-1-ol
CID 13023534
(Z)-3-methylsulfanylprop-2-en-1-ol
CID 13023535
2-Propylsulfanylprop-2-en-1-ol
CID 13331382
(Z)-2,3-bis(methylsulfanyl)prop-2-en-1-ol
CID 12170649
2-Propen-1-ol, 3-(2-propenylthio)
CID 5352856
2-Ethylsulfanylprop-2-en-1-ol
CID 13331381
2-Butan-2-ylsulfanylprop-2-en-1-ol
CID 13331385
(Z)-3-ethylsulfanylprop-2-en-1-ol
CID 13331392
(Z)-3-propylsulfanylprop-2-en-1-ol
CID 13331394
(Z)-3-butan-2-ylsulfanylprop-2-en-1-ol
CID 13331400
(Z)-3-butylsulfanylprop-2-en-1-ol
CID 15575902
(Z)-3-tert-butylsulfanylprop-2-en-1-ol
CID 15575904

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylprop-2-en-1-ol?
The IUPAC name of 2-methylsulfanylprop-2-en-1-ol (CID 13331380) is 2-methylsulfanylprop-2-en-1-ol.
What is the SMILES notation for 2-methylsulfanylprop-2-en-1-ol?
The canonical SMILES for 2-methylsulfanylprop-2-en-1-ol is C=C(CO)SC.
What is the InChIKey of 2-methylsulfanylprop-2-en-1-ol?
The InChIKey is ANKCEJFTOLNZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OS/c1-4(3-5)6-2/h5H,1,3H2,2H3.
What are the key properties of 2-methylsulfanylprop-2-en-1-ol?
2-methylsulfanylprop-2-en-1-ol has a molecular weight of 104.17 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylprop-2-en-1-ol is sourced from PubChem (CID 13331380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).