2-(9H-thioxanthen-2-yloxy)acetic acid

C15H12O3S — CID 174842344

IUPAC2-(9H-thioxanthen-2-yloxy)acetic acid
SMILESO=C(O)COc1ccc2c(c1)Cc1ccccc1S2
InChIInChI=1S/C15H12O3S/c16-15(17)9-18-12-5-6-14-11(8-12)7-10-3-1-2-4-13(10)19-14/h1-6,8H,7,9H2,(H,16,17)
InChIKeyPNIQMCRMKKSYMT-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.21
Rot. Bonds3

About 2-(9H-thioxanthen-2-yloxy)acetic acid

2-(9H-thioxanthen-2-yloxy)acetic acid (PubChem CID 174842344) has the molecular formula C15H12O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-(9H-thioxanthen-2-yloxy)acetic acid.

Molecular Properties

Compound Name2-(9H-thioxanthen-2-yloxy)acetic acid
PubChem CID174842344
Molecular FormulaC15H12O3S
Molecular Weight272.33 g/mol
Exact Mass272.05
IUPAC Name2-(9H-thioxanthen-2-yloxy)acetic acid
SMILESO=C(O)COc1ccc2c(c1)Cc1ccccc1S2
InChIInChI=1S/C15H12O3S/c16-15(17)9-18-12-5-6-14-11(8-12)7-10-3-1-2-4-13(10)19-14/h1-6,8H,7,9H2,(H,16,17)
InChIKeyPNIQMCRMKKSYMT-UHFFFAOYSA-N
XLogP3.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

copper;9H-thioxanthene
CID 174315063
sulfamide;9H-thioxanthene
CID 174799944
2-phenoxyacetic acid;titanium
CID 174896747
dioxotitanium;9H-thioxanthene
CID 174580063
bis(oxygen(2-));9H-thioxanthene;titanium(4+)
CID 158702616
2-[[38,39,40,41,42-pentakis(carboxymethoxy)-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaenyl]oxy]acetic acid
CID 100979111
2-[(2-sulfanylidene-1,4-dihydroindeno[1,2-d][1,3]thiazol-6-yl)oxy]acetic acid
CID 18471054
magnesium;hydride;2-phenoxyacetic acid
CID 173069745
2-(7-chloronaphthalen-2-yl)oxyacetic acid
CID 154365176
2-phenazin-2-yloxyacetic acid
CID 97034009
propan-2-one;2-[[26,27,28-tris(carboxymethoxy)-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-25-yl]oxy]acetic acid;hydrate
CID 139196151
chloromethane;2-phenoxyacetic acid
CID 157255542

Frequently Asked Questions

What is the IUPAC name of 2-(9H-thioxanthen-2-yloxy)acetic acid?
The IUPAC name of 2-(9H-thioxanthen-2-yloxy)acetic acid (CID 174842344) is 2-(9H-thioxanthen-2-yloxy)acetic acid.
What is the SMILES notation for 2-(9H-thioxanthen-2-yloxy)acetic acid?
The canonical SMILES for 2-(9H-thioxanthen-2-yloxy)acetic acid is O=C(O)COc1ccc2c(c1)Cc1ccccc1S2.
What is the InChIKey of 2-(9H-thioxanthen-2-yloxy)acetic acid?
The InChIKey is PNIQMCRMKKSYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3S/c16-15(17)9-18-12-5-6-14-11(8-12)7-10-3-1-2-4-13(10)19-14/h1-6,8H,7,9H2,(H,16,17).
What are the key properties of 2-(9H-thioxanthen-2-yloxy)acetic acid?
2-(9H-thioxanthen-2-yloxy)acetic acid has a molecular weight of 272.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-thioxanthen-2-yloxy)acetic acid is sourced from PubChem (CID 174842344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).