(triphenyl-λ4-sulfanyl) 2-methylpent-2-enoate

C24H24O2S — CID 141478224

IUPAC(triphenyl-λ4-sulfanyl) 2-methylpent-2-enoate
SMILESCCC=C(C)C(=O)OS(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24O2S/c1-3-13-20(2)24(25)26-27(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23/h4-19H,3H2,1-2H3
InChIKeyCLDZACILEJWJQH-UHFFFAOYSA-N
MW376.52 g/mol
LogP6.78
Rot. Bonds6

About (triphenyl-λ4-sulfanyl) 2-methylpent-2-enoate

(triphenyl-λ4-sulfanyl) 2-methylpent-2-enoate (PubChem CID 141478224) has the molecular formula C24H24O2S and a molecular weight of 376.52 g/mol. Its IUPAC name is (triphenyl-λ4-sulfanyl) 2-methylpent-2-enoate.

Molecular Properties

Compound Name(triphenyl-λ4-sulfanyl) 2-methylpent-2-enoate
PubChem CID141478224
Molecular FormulaC24H24O2S
Molecular Weight376.52 g/mol
Exact Mass376.15
IUPAC Name(triphenyl-λ4-sulfanyl) 2-methylpent-2-enoate
SMILESCCC=C(C)C(=O)OS(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24O2S/c1-3-13-20(2)24(25)26-27(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23/h4-19H,3H2,1-2H3
InChIKeyCLDZACILEJWJQH-UHFFFAOYSA-N
XLogP6.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.52
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (triphenyl-λ4-sulfanyl) 2-methylpent-2-enoate 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

sulfo 2-methylpent-2-enoate
CID 173010744
2-methylpent-2-eneperoxoic acid;styrene
CID 174709413
2-methyl-1-phenylpent-2-en-1-one
CID 130638834
benzenesulfonyl 2-methylbut-2-enoate
CID 175009927
naphthalen-1-yl 2-methylpent-2-enoate
CID 174366930
(Z)-N-(4-anilinophenyl)-2-methylpent-2-enamide
CID 60587211
ethyl 2-methyl-4-phenylbut-2-eneperoxoate
CID 173451384
ethyl (E)-2-methylpent-2-enoate
CID 6436311
(4-ethoxyphenyl) 2-methylpent-2-enoate
CID 175299666
methyl N-(1-phenylbut-1-enyl)carbamate
CID 131886313
2-benzyl-3-[[(E)-2-methylpent-2-enoyl]amino]propanoic acid
CID 132967793
buta-1,3-diene;(E)-2-methylpent-2-enoic acid;styrene
CID 87554778

Frequently Asked Questions

What is the IUPAC name of (triphenyl-λ4-sulfanyl) 2-methylpent-2-enoate?
The IUPAC name of (triphenyl-λ4-sulfanyl) 2-methylpent-2-enoate (CID 141478224) is (triphenyl-λ4-sulfanyl) 2-methylpent-2-enoate.
What is the SMILES notation for (triphenyl-λ4-sulfanyl) 2-methylpent-2-enoate?
The canonical SMILES for (triphenyl-λ4-sulfanyl) 2-methylpent-2-enoate is CCC=C(C)C(=O)OS(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (triphenyl-λ4-sulfanyl) 2-methylpent-2-enoate?
The InChIKey is CLDZACILEJWJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O2S/c1-3-13-20(2)24(25)26-27(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23/h4-19H,3H2,1-2H3.
What are the key properties of (triphenyl-λ4-sulfanyl) 2-methylpent-2-enoate?
(triphenyl-λ4-sulfanyl) 2-methylpent-2-enoate has a molecular weight of 376.52 g/mol, XLogP of 6.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (triphenyl-λ4-sulfanyl) 2-methylpent-2-enoate is sourced from PubChem (CID 141478224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).