(E)-5-methylsulfanylpent-4-en-2-ol

C6H12OS — CID 5368119

IUPAC(E)-5-methylsulfanylpent-4-en-2-ol
SMILESCS/C=C/CC(C)O
InChIInChI=1S/C6H12OS/c1-6(7)4-3-5-8-2/h3,5-7H,4H2,1-2H3/b5-3+
InChIKeyIIITWVBSNBEZHT-HWKANZROSA-N
MW132.23 g/mol
LogP1.63
Rot. Bonds3

About (E)-5-methylsulfanylpent-4-en-2-ol

(E)-5-methylsulfanylpent-4-en-2-ol (PubChem CID 5368119) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is (E)-5-methylsulfanylpent-4-en-2-ol.

Molecular Properties

Compound Name(E)-5-methylsulfanylpent-4-en-2-ol
PubChem CID5368119
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name(E)-5-methylsulfanylpent-4-en-2-ol
SMILESCS/C=C/CC(C)O
InChIInChI=1S/C6H12OS/c1-6(7)4-3-5-8-2/h3,5-7H,4H2,1-2H3/b5-3+
InChIKeyIIITWVBSNBEZHT-HWKANZROSA-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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Frequently Asked Questions

What is the IUPAC name of (E)-5-methylsulfanylpent-4-en-2-ol?
The IUPAC name of (E)-5-methylsulfanylpent-4-en-2-ol (CID 5368119) is (E)-5-methylsulfanylpent-4-en-2-ol.
What is the SMILES notation for (E)-5-methylsulfanylpent-4-en-2-ol?
The canonical SMILES for (E)-5-methylsulfanylpent-4-en-2-ol is CS/C=C/CC(C)O.
What is the InChIKey of (E)-5-methylsulfanylpent-4-en-2-ol?
The InChIKey is IIITWVBSNBEZHT-HWKANZROSA-N. The full InChI is InChI=1S/C6H12OS/c1-6(7)4-3-5-8-2/h3,5-7H,4H2,1-2H3/b5-3+.
What are the key properties of (E)-5-methylsulfanylpent-4-en-2-ol?
(E)-5-methylsulfanylpent-4-en-2-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 (E)-5-methylsulfanylpent-4-en-2-ol is sourced from PubChem (CID 5368119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).