(E)-1-methylsulfanylbut-2-en-1-ol

C5H10OS — CID 21014885

IUPAC(E)-1-methylsulfanylbut-2-en-1-ol
SMILESC/C=C/C(O)SC
InChIInChI=1S/C5H10OS/c1-3-4-5(6)7-2/h3-6H,1-2H3/b4-3+
InChIKeyOIWJSLZFQSRBTN-ONEGZZNKSA-N
MW118.20 g/mol
LogP1.24
Rot. Bonds2

About (E)-1-methylsulfanylbut-2-en-1-ol

(E)-1-methylsulfanylbut-2-en-1-ol (PubChem CID 21014885) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is (E)-1-methylsulfanylbut-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-methylsulfanylbut-2-en-1-ol
PubChem CID21014885
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name(E)-1-methylsulfanylbut-2-en-1-ol
SMILESC/C=C/C(O)SC
InChIInChI=1S/C5H10OS/c1-3-4-5(6)7-2/h3-6H,1-2H3/b4-3+
InChIKeyOIWJSLZFQSRBTN-ONEGZZNKSA-N
XLogP1.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Buten-1-ol, 2-(methylthio)methyl-
CID 6435612
3-Methyl-4-(methylsulfanyl)but-2-en-1-ol
CID 155820369
(E)-3-methylsulfanylprop-2-en-1-ol
CID 13023534
2H-Thiopyran-2-ol
CID 20502095
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
(Z)-2,3-bis(methylsulfanyl)prop-2-en-1-ol
CID 12170649
2-Propen-1-ol, 3-(2-propenylthio)
CID 5352856
2-Penten-4-yn-1-ol, 5-(methylthio)-, (E)-
CID 5364233
2-Ethylsulfanylprop-2-en-1-ol
CID 13331381

Frequently Asked Questions

What is the IUPAC name of (E)-1-methylsulfanylbut-2-en-1-ol?
The IUPAC name of (E)-1-methylsulfanylbut-2-en-1-ol (CID 21014885) is (E)-1-methylsulfanylbut-2-en-1-ol.
What is the SMILES notation for (E)-1-methylsulfanylbut-2-en-1-ol?
The canonical SMILES for (E)-1-methylsulfanylbut-2-en-1-ol is C/C=C/C(O)SC.
What is the InChIKey of (E)-1-methylsulfanylbut-2-en-1-ol?
The InChIKey is OIWJSLZFQSRBTN-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H10OS/c1-3-4-5(6)7-2/h3-6H,1-2H3/b4-3+.
What are the key properties of (E)-1-methylsulfanylbut-2-en-1-ol?
(E)-1-methylsulfanylbut-2-en-1-ol has a molecular weight of 118.20 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methylsulfanylbut-2-en-1-ol is sourced from PubChem (CID 21014885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).