Carboxin

C₁₂H₁₃NO₂SCAS 5234-68-4235.30 g/mol

Open in Covalent MOL file

Alkene Ether Sulfide

Properties

Molecular formula: C₁₂H₁₃NO₂S
Molar mass: 235.30 g/mol
Exact mass: 235.0667 Da
Density: 1.7 g/mL
Melting point: 93–95 °C
Flash point: 203 °C
Water solubility: 147 mg/L (20 °C)
logP: 3.27Crippen estimate
Polar surface area: 41.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H317 May cause an allergic skin reactionSensitization, Skin
H373 May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 616-226-00-3), via PubChem.

Precautionary statements

P260, P261, P272, P273, P280, P302+P352, P319, P321, P333+P317, P362+P364, P391, P501

Identifiers

CAS number

5234-68-4

SMILES

CC1=C(C(O)=Nc2ccccc2)SCCO1

InChIKey

GYSSRZJIHXQEHQ-UHFFFAOYSA-N

InChI

InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)

Weigh it out

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

Names and synonyms

30 names · show all

1,4-Oxathiin-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-
1,4-Oxathiin-3-carboxanilide, 5,6-dihydro-2-methyl-
5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide
D 735
DCMO
2,3-Dihydro-5-carboxanilido-6-methyl-1,4-oxathiin
Vitavax
Carboxine
F 735
5,6-Dihydro-2-methyl-1,4-oxathiin-3-carboxanilide
2,3-Dihydro-6-methyl-1,4-oxathiin-5-carboxanilide
DMOC
1-Oxa-2-methyl-3-(anilidocarbonyl)-4-thiacyclohex-2-ene
Vitavax 735D
Vitavax 75W
Vitavax 100
Carbathiin
V 4X
2,3-Dihydro-6-methyl-1,4-oxathiine-5-carboxylic acid anilide
Vitaflo 250
Karboxyn
Fenoxan
N-Phenyl-2-methyl-5,6-dihydrooxathiin-3-carboxamide
Vitavax EC 200
NSC 263492
2,3-Dihydro-6-methyloxathiin-5-carboxanilide
Vitavax 34
2-Methyl-5,6-dihydro-[1,4]oxathiine-3-carboxylic acid phenylamide
2-Methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
VitavaxThiran

Work with Carboxin

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

Acetanilide103-84-438 % similar Ethyl N-phenylcarbamate101-99-537 % similar Acetoacetanilide102-01-236 % similar N-Phenylethanethioamide637-53-634 % similar Propham122-42-933 % similar Fenuron101-42-833 % similar 2,2,2-Trifluoro-N-phenylacetamide404-24-033 % similar Chloroacetanilide587-65-533 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate7625-01-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook