dimethyl(2-phenoxyethyl)sulfanium chloride

C10H15ClOS — CID 86021280

IUPACdimethyl(2-phenoxyethyl)sulfanium chloride
SMILESC[S+](C)CCOc1ccccc1.[Cl-]
InChIInChI=1S/C10H15OS.ClH/c1-12(2)9-8-11-10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3;1H/q+1;/p-1
InChIKeyIDXYBTQWRICXMN-UHFFFAOYSA-M
MW218.75 g/mol
LogP-1.05
Rot. Bonds4

About dimethyl(2-phenoxyethyl)sulfanium chloride

dimethyl(2-phenoxyethyl)sulfanium chloride (PubChem CID 86021280) has the molecular formula C10H15ClOS and a molecular weight of 218.75 g/mol. Its IUPAC name is dimethyl(2-phenoxyethyl)sulfanium chloride.

Molecular Properties

Compound Namedimethyl(2-phenoxyethyl)sulfanium chloride
PubChem CID86021280
Molecular FormulaC10H15ClOS
Molecular Weight218.75 g/mol
Exact Mass218.05
IUPAC Namedimethyl(2-phenoxyethyl)sulfanium chloride
SMILESC[S+](C)CCOc1ccccc1.[Cl-]
InChIInChI=1S/C10H15OS.ClH/c1-12(2)9-8-11-10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3;1H/q+1;/p-1
InChIKeyIDXYBTQWRICXMN-UHFFFAOYSA-M
XLogP-1.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.75
LogP ≤ 5-1.05
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

dodecyl-methyl-(2-phenoxyethyl)sulfanium
CID 140914045
2-phenoxyethylmercury
CID 163598363
azane;propoxybenzene
CID 66667480
CID 161224902
CID 161224902
ethoxybenzene chloride
CID 21193593
3-(3-phenoxypropoxy)pyridine
CID 86195847
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
N-(2-phenoxyethoxy)methanamine
CID 117126931
ethoxybenzene;propoxybenzene
CID 67747691
pentoxybenzene;undecane
CID 174778179
3,3-bis(chloromethyl)hexoxybenzene
CID 79447958
2-phenoxyethyl hypobromite
CID 139931807

Frequently Asked Questions

What is the IUPAC name of dimethyl(2-phenoxyethyl)sulfanium chloride?
The IUPAC name of dimethyl(2-phenoxyethyl)sulfanium chloride (CID 86021280) is dimethyl(2-phenoxyethyl)sulfanium chloride.
What is the SMILES notation for dimethyl(2-phenoxyethyl)sulfanium chloride?
The canonical SMILES for dimethyl(2-phenoxyethyl)sulfanium chloride is C[S+](C)CCOc1ccccc1.[Cl-].
What is the InChIKey of dimethyl(2-phenoxyethyl)sulfanium chloride?
The InChIKey is IDXYBTQWRICXMN-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H15OS.ClH/c1-12(2)9-8-11-10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3;1H/q+1;/p-1.
What are the key properties of dimethyl(2-phenoxyethyl)sulfanium chloride?
dimethyl(2-phenoxyethyl)sulfanium chloride has a molecular weight of 218.75 g/mol, XLogP of -1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(2-phenoxyethyl)sulfanium chloride is sourced from PubChem (CID 86021280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).