(E)-3-methyl-4-methylsulfanylbut-2-en-1-ol

C6H12OS — CID 155820369

IUPAC(E)-3-methyl-4-methylsulfanylbut-2-en-1-ol
SMILESCSC/C(C)=C/CO
InChIInChI=1S/C6H12OS/c1-6(3-4-7)5-8-2/h3,7H,4-5H2,1-2H3/b6-3+
InChIKeyYXNSOSRPMRZPLP-ZZXKWVIFSA-N
MW132.23 g/mol
LogP1.29
Rot. Bonds3

About (E)-3-methyl-4-methylsulfanylbut-2-en-1-ol

(E)-3-methyl-4-methylsulfanylbut-2-en-1-ol (PubChem CID 155820369) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is (E)-3-methyl-4-methylsulfanylbut-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-methyl-4-methylsulfanylbut-2-en-1-ol
PubChem CID155820369
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name(E)-3-methyl-4-methylsulfanylbut-2-en-1-ol
SMILESCSC/C(C)=C/CO
InChIInChI=1S/C6H12OS/c1-6(3-4-7)5-8-2/h3,7H,4-5H2,1-2H3/b6-3+
InChIKeyYXNSOSRPMRZPLP-ZZXKWVIFSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-4-methylsulfanylbut-2-en-1-ol?
The IUPAC name of (E)-3-methyl-4-methylsulfanylbut-2-en-1-ol (CID 155820369) is (E)-3-methyl-4-methylsulfanylbut-2-en-1-ol.
What is the SMILES notation for (E)-3-methyl-4-methylsulfanylbut-2-en-1-ol?
The canonical SMILES for (E)-3-methyl-4-methylsulfanylbut-2-en-1-ol is CSC/C(C)=C/CO.
What is the InChIKey of (E)-3-methyl-4-methylsulfanylbut-2-en-1-ol?
The InChIKey is YXNSOSRPMRZPLP-ZZXKWVIFSA-N. The full InChI is InChI=1S/C6H12OS/c1-6(3-4-7)5-8-2/h3,7H,4-5H2,1-2H3/b6-3+.
What are the key properties of (E)-3-methyl-4-methylsulfanylbut-2-en-1-ol?
(E)-3-methyl-4-methylsulfanylbut-2-en-1-ol has a molecular weight of 132.23 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-4-methylsulfanylbut-2-en-1-ol is sourced from PubChem (CID 155820369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).