cyclopropyl-(4-methoxyphenyl)-propylsulfanium

C13H19OS+ — CID 23331543

IUPACcyclopropyl-(4-methoxyphenyl)-propylsulfanium
SMILESCCC[S+](c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C13H19OS/c1-3-10-15(13-8-9-13)12-6-4-11(14-2)5-7-12/h4-7,13H,3,8-10H2,1-2H3/q+1
InChIKeyZGVWZGXLWGARFJ-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.24
Rot. Bonds5

About cyclopropyl-(4-methoxyphenyl)-propylsulfanium

cyclopropyl-(4-methoxyphenyl)-propylsulfanium (PubChem CID 23331543) has the molecular formula C13H19OS+ and a molecular weight of 223.36 g/mol. Its IUPAC name is cyclopropyl-(4-methoxyphenyl)-propylsulfanium.

Molecular Properties

Compound Namecyclopropyl-(4-methoxyphenyl)-propylsulfanium
PubChem CID23331543
Molecular FormulaC13H19OS+
Molecular Weight223.36 g/mol
Exact Mass223.12
IUPAC Namecyclopropyl-(4-methoxyphenyl)-propylsulfanium
SMILESCCC[S+](c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C13H19OS/c1-3-10-15(13-8-9-13)12-6-4-11(14-2)5-7-12/h4-7,13H,3,8-10H2,1-2H3/q+1
InChIKeyZGVWZGXLWGARFJ-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
1-(3-ethylcyclobutyl)-4-methoxybenzene
CID 166481315
butane;ethane;ethylcyclopentane;(4-methoxyphenyl)methanol
CID 143474239
ethyl-(4-methoxyphenyl)-phenylsulfanium
CID 154467507
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 23381464
4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 782105
(4-ethylcyclohexyl)-(4-methoxyphenyl)methanol
CID 64749359
2-ethyl-1-(4-methoxyphenyl)cyclopropan-1-ol
CID 79332791
tris(butyl-(4-methoxyphenyl)-methylsulfanium);molybdenum;(oxygen(2-));phosphate
CID 139204550
N-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine
CID 783025
1-(4-methoxyphenyl)-4-propylcyclohexan-1-amine
CID 54919370
1-[2,3-diethyl-4-(4-methoxyphenyl)cyclobutyl]-4-methoxybenzene
CID 132838740

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(4-methoxyphenyl)-propylsulfanium?
The IUPAC name of cyclopropyl-(4-methoxyphenyl)-propylsulfanium (CID 23331543) is cyclopropyl-(4-methoxyphenyl)-propylsulfanium.
What is the SMILES notation for cyclopropyl-(4-methoxyphenyl)-propylsulfanium?
The canonical SMILES for cyclopropyl-(4-methoxyphenyl)-propylsulfanium is CCC[S+](c1ccc(OC)cc1)C1CC1.
What is the InChIKey of cyclopropyl-(4-methoxyphenyl)-propylsulfanium?
The InChIKey is ZGVWZGXLWGARFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19OS/c1-3-10-15(13-8-9-13)12-6-4-11(14-2)5-7-12/h4-7,13H,3,8-10H2,1-2H3/q+1.
What are the key properties of cyclopropyl-(4-methoxyphenyl)-propylsulfanium?
cyclopropyl-(4-methoxyphenyl)-propylsulfanium has a molecular weight of 223.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(4-methoxyphenyl)-propylsulfanium is sourced from PubChem (CID 23331543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).