1-methoxy-2-(2-methoxyethoxy)ethane;thioxanthen-9-one

C19H22O4S — CID 165009765

IUPAC1-methoxy-2-(2-methoxyethoxy)ethane;thioxanthen-9-one
SMILESCOCCOCCOC.O=c1c2ccccc2sc2ccccc12
InChIInChI=1S/C13H8OS.C6H14O3/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;1-7-3-5-9-6-4-8-2/h1-8H;3-6H2,1-2H3
InChIKeyJNERUWGHJTUHKV-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.71
Rot. Bonds6

About 1-methoxy-2-(2-methoxyethoxy)ethane;thioxanthen-9-one

1-methoxy-2-(2-methoxyethoxy)ethane;thioxanthen-9-one (PubChem CID 165009765) has the molecular formula C19H22O4S and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-methoxy-2-(2-methoxyethoxy)ethane;thioxanthen-9-one.

Molecular Properties

Compound Name1-methoxy-2-(2-methoxyethoxy)ethane;thioxanthen-9-one
PubChem CID165009765
Molecular FormulaC19H22O4S
Molecular Weight346.45 g/mol
Exact Mass346.12
IUPAC Name1-methoxy-2-(2-methoxyethoxy)ethane;thioxanthen-9-one
SMILESCOCCOCCOC.O=c1c2ccccc2sc2ccccc12
InChIInChI=1S/C13H8OS.C6H14O3/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;1-7-3-5-9-6-4-8-2/h1-8H;3-6H2,1-2H3
InChIKeyJNERUWGHJTUHKV-UHFFFAOYSA-N
XLogP3.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1,1'-biphenyl;thioxanthen-9-one
CID 159774057
3-(2-methoxyethoxymethyl)-1-benzothiophene-2-carboxylic acid
CID 43332567
2-methylprop-2-enoic acid;thioxanthen-9-one
CID 174860771
bis(2-butoxyethyl) 2-[(9-oxothioxanthen-2-yl)methyl]propanedioate
CID 164913335
aniline;thioxanthen-9-one
CID 157172339
1-(1-benzothiophen-3-yl)-4-(2-methoxyethoxy)butan-2-one
CID 102927339
2,3-bis[2-(2-methoxyethoxy)ethoxy]naphthalene-1,4-dione
CID 132569255
2-ethoxythioxanthen-9-one
CID 14150410
2-[3-[2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxyethoxy]-2,2-bis[2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxyethoxymethyl]propoxy]ethyl 2-(9-oxothioxanthen-2-yl)oxyacetate
CID 59601977
(9-oxothioxanthen-3-yl) acetate
CID 147267913
2-[2-(dimethylamino)ethoxymethyl]thioxanthen-9-one;ethane
CID 145465911
N-[2-[methyl-[2-[2-[2-[methyl-[2-[[2-(9-oxothioxanthen-2-yl)oxyacetyl]amino]ethyl]amino]ethoxy]ethoxy]ethyl]amino]ethyl]-2-(9-oxothioxanthen-2-yl)oxyacetamide
CID 126487155

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(2-methoxyethoxy)ethane;thioxanthen-9-one?
The IUPAC name of 1-methoxy-2-(2-methoxyethoxy)ethane;thioxanthen-9-one (CID 165009765) is 1-methoxy-2-(2-methoxyethoxy)ethane;thioxanthen-9-one.
What is the SMILES notation for 1-methoxy-2-(2-methoxyethoxy)ethane;thioxanthen-9-one?
The canonical SMILES for 1-methoxy-2-(2-methoxyethoxy)ethane;thioxanthen-9-one is COCCOCCOC.O=c1c2ccccc2sc2ccccc12.
What is the InChIKey of 1-methoxy-2-(2-methoxyethoxy)ethane;thioxanthen-9-one?
The InChIKey is JNERUWGHJTUHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8OS.C6H14O3/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;1-7-3-5-9-6-4-8-2/h1-8H;3-6H2,1-2H3.
What are the key properties of 1-methoxy-2-(2-methoxyethoxy)ethane;thioxanthen-9-one?
1-methoxy-2-(2-methoxyethoxy)ethane;thioxanthen-9-one has a molecular weight of 346.45 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(2-methoxyethoxy)ethane;thioxanthen-9-one is sourced from PubChem (CID 165009765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).