dimethyl-[(2-phenoxyphenyl)methyl]sulfanium chloride

C15H17ClOS — CID 88775761

IUPACdimethyl-[(2-phenoxyphenyl)methyl]sulfanium chloride
SMILESC[S+](C)Cc1ccccc1Oc1ccccc1.[Cl-]
InChIInChI=1S/C15H17OS.ClH/c1-17(2)12-13-8-6-7-11-15(13)16-14-9-4-3-5-10-14;/h3-11H,12H2,1-2H3;1H/q+1;/p-1
InChIKeyLDZCXKCZCNNIAZ-UHFFFAOYSA-M
MW280.82 g/mol
LogP0.86
Rot. Bonds4

About dimethyl-[(2-phenoxyphenyl)methyl]sulfanium chloride

dimethyl-[(2-phenoxyphenyl)methyl]sulfanium chloride (PubChem CID 88775761) has the molecular formula C15H17ClOS and a molecular weight of 280.82 g/mol. Its IUPAC name is dimethyl-[(2-phenoxyphenyl)methyl]sulfanium chloride.

Molecular Properties

Compound Namedimethyl-[(2-phenoxyphenyl)methyl]sulfanium chloride
PubChem CID88775761
Molecular FormulaC15H17ClOS
Molecular Weight280.82 g/mol
Exact Mass280.07
IUPAC Namedimethyl-[(2-phenoxyphenyl)methyl]sulfanium chloride
SMILESC[S+](C)Cc1ccccc1Oc1ccccc1.[Cl-]
InChIInChI=1S/C15H17OS.ClH/c1-17(2)12-13-8-6-7-11-15(13)16-14-9-4-3-5-10-14;/h3-11H,12H2,1-2H3;1H/q+1;/p-1
InChIKeyLDZCXKCZCNNIAZ-UHFFFAOYSA-M
XLogP0.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 50.86
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

2-(2-phenoxyphenyl)ethanethiol
CID 164663876
1-benzyl-2-phenoxybenzene;phosphane
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1-(3,3-dimethylbutyl)-2-phenoxybenzene
CID 158619324
1-(2-phenoxyphenyl)butan-2-amine
CID 63803280
1-pentadecyl-2-phenoxybenzene
CID 101290758
[1-amino-2-(2-phenoxyphenyl)ethylidene]azanium
CID 6347179
molecular nitrogen;1-phenoxy-2-prop-2-enylbenzene
CID 70452460
3-(2-phenoxyphenyl)propan-1-amine;phosphane
CID 175469418
methanidyl-[2-(2-phenoxyphenyl)ethyl]azanium
CID 91541094
2-[(2-phenoxyphenyl)methyl]pyrazine
CID 20979280
1,2-diphenoxy-3-propylbenzene
CID 18381159
[2-[(2-phenoxyphenyl)methoxy]phenyl]methanamine
CID 150298277

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(2-phenoxyphenyl)methyl]sulfanium chloride?
The IUPAC name of dimethyl-[(2-phenoxyphenyl)methyl]sulfanium chloride (CID 88775761) is dimethyl-[(2-phenoxyphenyl)methyl]sulfanium chloride.
What is the SMILES notation for dimethyl-[(2-phenoxyphenyl)methyl]sulfanium chloride?
The canonical SMILES for dimethyl-[(2-phenoxyphenyl)methyl]sulfanium chloride is C[S+](C)Cc1ccccc1Oc1ccccc1.[Cl-].
What is the InChIKey of dimethyl-[(2-phenoxyphenyl)methyl]sulfanium chloride?
The InChIKey is LDZCXKCZCNNIAZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H17OS.ClH/c1-17(2)12-13-8-6-7-11-15(13)16-14-9-4-3-5-10-14;/h3-11H,12H2,1-2H3;1H/q+1;/p-1.
What are the key properties of dimethyl-[(2-phenoxyphenyl)methyl]sulfanium chloride?
dimethyl-[(2-phenoxyphenyl)methyl]sulfanium chloride has a molecular weight of 280.82 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(2-phenoxyphenyl)methyl]sulfanium chloride is sourced from PubChem (CID 88775761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).