(E)-4-methylsulfanylpent-3-en-2-one

C6H10OS — CID 5463352

IUPAC(E)-4-methylsulfanylpent-3-en-2-one
SMILESCS/C(C)=C/C(C)=O
InChIInChI=1S/C6H10OS/c1-5(7)4-6(2)8-3/h4H,1-3H3/b6-4+
InChIKeyJEVVTPRSFIWIPW-GQCTYLIASA-N
MW130.21 g/mol
LogP1.84
Rot. Bonds2

About (E)-4-methylsulfanylpent-3-en-2-one

(E)-4-methylsulfanylpent-3-en-2-one (PubChem CID 5463352) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is (E)-4-methylsulfanylpent-3-en-2-one.

Molecular Properties

Compound Name(E)-4-methylsulfanylpent-3-en-2-one
PubChem CID5463352
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name(E)-4-methylsulfanylpent-3-en-2-one
SMILESCS/C(C)=C/C(C)=O
InChIInChI=1S/C6H10OS/c1-5(7)4-6(2)8-3/h4H,1-3H3/b6-4+
InChIKeyJEVVTPRSFIWIPW-GQCTYLIASA-N
XLogP1.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-4-methylsulfanylpent-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-4-methylsulfanylbut-3-en-2-one
CID 2843838
(2E,4E)-2,4-bis(methylsulfanyl)hexa-2,4-diene
CID 138659662
methylsulfanylmethane;bis((Z)-4-oxopent-2-en-2-olate);platinum(2+)
CID 24742045
pentakis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;iron
CID 176885193
methyl (2Z,4Z)-3-(methylideneamino)-5-methylsulfanylhexa-2,4-dienoate
CID 163992511
hafnium;tetrakis((Z)-4-hydroxypent-3-en-2-one)
CID 11330624
bis((Z)-4-hydroxypent-3-en-2-one);rhodium
CID 11358512
europium;tris(4-hydroxypent-3-en-2-one)
CID 3566312
tris((Z)-4-hydroxypent-3-en-2-one);thulium
CID 131701275
bis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;manganese
CID 71311349
tetrakis(4-hydroxypent-3-en-2-one);thorium
CID 50912505
tris((Z)-4-hydroxypent-3-en-2-one);ruthenium
CID 5364023

Frequently Asked Questions

What is the IUPAC name of (E)-4-methylsulfanylpent-3-en-2-one?
The IUPAC name of (E)-4-methylsulfanylpent-3-en-2-one (CID 5463352) is (E)-4-methylsulfanylpent-3-en-2-one.
What is the SMILES notation for (E)-4-methylsulfanylpent-3-en-2-one?
The canonical SMILES for (E)-4-methylsulfanylpent-3-en-2-one is CS/C(C)=C/C(C)=O.
What is the InChIKey of (E)-4-methylsulfanylpent-3-en-2-one?
The InChIKey is JEVVTPRSFIWIPW-GQCTYLIASA-N. The full InChI is InChI=1S/C6H10OS/c1-5(7)4-6(2)8-3/h4H,1-3H3/b6-4+.
What are the key properties of (E)-4-methylsulfanylpent-3-en-2-one?
(E)-4-methylsulfanylpent-3-en-2-one has a molecular weight of 130.21 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methylsulfanylpent-3-en-2-one is sourced from PubChem (CID 5463352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).