2-Isopropylthioxanthone

C₁₆H₁₄OSCAS 5495-84-1254.35 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₁₄OS
Molar mass: 254.35 g/mol
Exact mass: 254.0765 Da
Melting point: 77.5 °C
logP: 4.54Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed17% of notifiers
H361 Suspected of damaging fertility or the unborn child16.1% of notifiers
H361f Suspected of damaging fertility20.4% of notifiers
H400 Very toxic to aquatic life20.4% of notifiers
H410 Very toxic to aquatic life with long lasting effects20.4% of notifiers

Aggregated from 329 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, P501

Identifiers

CAS number

5495-84-1

SMILES

CC(C)c1ccc2sc3ccccc3c(=O)c2c1

InChIKey

KTALPKYXQZGAEG-UHFFFAOYSA-N

InChI

InChI=1S/C16H14OS/c1-10(2)11-7-8-15-13(9-11)16(17)12-5-3-4-6-14(12)18-15/h3-10H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

21 names · show all

9H-Thioxanthen-9-one, 2-(1-methylethyl)-
Thioxanthen-9-one, 2-isopropyl-
2-(1-Methylethyl)-9H-thioxanthen-9-one
Quantacure 597
Quantacure 659
Quantacure ITX
2-Isopropylthioxanthen-9-one
2-ITX
Speedcure ITX
Photocure ITX-P
ITX
Omnirad ITX
JRCure ITX
2-Isopropyl-9H-thioxanthen-9-one
2-Isopropylthioxanthenone
GR-ITX
PI-ITX
Speedcure 2ITX
Gencure ITX
2-Propan-2-ylthioxanthen-9-one
Lunacure 2ITX

Work with 2-Isopropylthioxanthone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Thioxanthone492-22-859 % similar 2-Bromo-10-thiaxanthenone20077-10-556 % similar 2-Chlorothioxanthone86-39-556 % similar 2-(Trifluoromethyl)-9H-thioxanthen-9-one1693-28-352 % similar Solvent orange 6316294-75-045 % similar 2,4-Diethylthioxanthone82799-44-842 % similar 6-Isopropylchromone-3-carbonitrile50743-32-341 % similar 2-Isopropylnaphthalene2027-17-039 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isopropylthioxanthone83846-86-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook