CAS 15774-82-0 2-Methylthioxanthone (HCID 27479)

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Basic information

CAS: 15774-82-0
Standard SMILES: Cc1ccc2sc3ccccc3c(=O)c2c1
InChIKey: MYISVPVWAQRUTL-UHFFFAOYSA-N
Molecular formula: C14H10OS
Average molar mass: 226.3 g/mol
Monoisotopic mass: 226.04523611

Names & identifiers

Preferred name: 2-Methylthioxanthone
IUPAC: 2-methylthioxanthen-9-one
English name: 2-methyl-9H-thioxanthen-9-one
Molecular formula: C14H10OS
Molecular weight: 226.29

Names & synonyms

2-METHYL-9H-THIOXANTHEN-9-ONE2-Methylthioxanthone9H-Thioxanthen-9-one, 2-methyl-2-Methylthioxanthen-9-one2-MethylthiaxanthoneThioxanthen-9-one, 2-methyl-3ESH5OH7V2NISSO CURE MTXEINECS 239-871-9UNII-3ESH5OH7V2NSC 263518NSC-263518

Show more names

METHYLTHIOXANTHONE

DTXSID0065937RefChem:88408DTXCID6035071InChI=1/C14H10OS/c1-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h2-8H,1HMYISVPVWAQRUTL-UHFFFAOYSA-N15774-82-02-methyl-thioxanthen-9-oneNSC263518

Database identifiers

CAS: 15774-82-0
PubChem CID: 27479
DTXSID: DTXSID0065937
UNII: 3ESH5OH7V2
EC Number: 239-871-9
Nikkaji: J248.763B

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 42.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 16
Formal charge: 0
Complexity: 288

Physicochemical properties

Melting point: 123 °C · 123 °C(Solv: acetic acid (64-19-7))
Boiling point: 394.6 · 394.6±32.0 °C(Predicted)
Density: 1.268 · 1.268±0.06 g/cm3(Predicted)
FDA UNII: 3 ESH5OH7V2 · 3ESH5OH7V2
EPA Substance Registry System: 9 H-Thioxanthen-9-one, · 9H-Thioxanthen-9-one, 2-methyl- (15774-82-0)
TSCA: TSCA listed