[(E)-5-methoxy-3-methylidenepent-4-enyl]sulfanylbenzene

C13H16OS — CID 13215981

IUPAC[(E)-5-methoxy-3-methylidenepent-4-enyl]sulfanylbenzene
SMILESC=C(/C=C/OC)CCSc1ccccc1
InChIInChI=1S/C13H16OS/c1-12(8-10-14-2)9-11-15-13-6-4-3-5-7-13/h3-8,10H,1,9,11H2,2H3/b10-8+
InChIKeyLNEDTTOZULZUTO-CSKARUKUSA-N
MW220.34 g/mol
LogP3.89
Rot. Bonds6

About [(E)-5-methoxy-3-methylidenepent-4-enyl]sulfanylbenzene

[(E)-5-methoxy-3-methylidenepent-4-enyl]sulfanylbenzene (PubChem CID 13215981) has the molecular formula C13H16OS and a molecular weight of 220.34 g/mol. Its IUPAC name is [(E)-5-methoxy-3-methylidenepent-4-enyl]sulfanylbenzene.

Molecular Properties

Compound Name[(E)-5-methoxy-3-methylidenepent-4-enyl]sulfanylbenzene
PubChem CID13215981
Molecular FormulaC13H16OS
Molecular Weight220.34 g/mol
Exact Mass220.09
IUPAC Name[(E)-5-methoxy-3-methylidenepent-4-enyl]sulfanylbenzene
SMILESC=C(/C=C/OC)CCSc1ccccc1
InChIInChI=1S/C13H16OS/c1-12(8-10-14-2)9-11-15-13-6-4-3-5-7-13/h3-8,10H,1,9,11H2,2H3/b10-8+
InChIKeyLNEDTTOZULZUTO-CSKARUKUSA-N
XLogP3.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [(E)-5-methoxy-3-methylidenepent-4-enyl]sulfanylbenzene 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

3-(2-phenylsulfanylethoxy)prop-2-enoic acid
CID 54131927
1,5-bis(phenylsulfanyl)pentan-3-one
CID 14244732
methyl (E)-5-phenylsulfanylpent-2-enoate
CID 15864765
2-[(E)-2-naphthalen-2-ylethenyl]-6-(4-phenylsulfanylbut-1-en-2-yloxy)naphthalene
CID 142012365
1-methyl-3-(2-phenylsulfanylethylsulfanyl)benzene
CID 79327094
2-phenylsulfanylethyl hydrogen carbonate
CID 54537895
2-methoxy-N-(2-phenylsulfanylethyl)ethanamine
CID 60721151
N-[(3,4-dimethoxyphenyl)methylideneamino]-3-phenylsulfanylpropanamide
CID 5047472
N-(3-methoxypropyl)-3-phenylsulfanylpropanamide
CID 3138314
3-phenylsulfanylpropyl 2-methylprop-2-enoate
CID 140680016
(E)-6-phenylsulfanylhex-3-en-2-one
CID 71110058
methyl 4-[methyl(2-phenylsulfanylethyl)amino]butanoate
CID 62013452

Frequently Asked Questions

What is the IUPAC name of [(E)-5-methoxy-3-methylidenepent-4-enyl]sulfanylbenzene?
The IUPAC name of [(E)-5-methoxy-3-methylidenepent-4-enyl]sulfanylbenzene (CID 13215981) is [(E)-5-methoxy-3-methylidenepent-4-enyl]sulfanylbenzene.
What is the SMILES notation for [(E)-5-methoxy-3-methylidenepent-4-enyl]sulfanylbenzene?
The canonical SMILES for [(E)-5-methoxy-3-methylidenepent-4-enyl]sulfanylbenzene is C=C(/C=C/OC)CCSc1ccccc1.
What is the InChIKey of [(E)-5-methoxy-3-methylidenepent-4-enyl]sulfanylbenzene?
The InChIKey is LNEDTTOZULZUTO-CSKARUKUSA-N. The full InChI is InChI=1S/C13H16OS/c1-12(8-10-14-2)9-11-15-13-6-4-3-5-7-13/h3-8,10H,1,9,11H2,2H3/b10-8+.
What are the key properties of [(E)-5-methoxy-3-methylidenepent-4-enyl]sulfanylbenzene?
[(E)-5-methoxy-3-methylidenepent-4-enyl]sulfanylbenzene has a molecular weight of 220.34 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-methoxy-3-methylidenepent-4-enyl]sulfanylbenzene is sourced from PubChem (CID 13215981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).