Products 486415-53-6

CAS 486415-53-6 is the registry number for tert-butyl 3-isothiocyanatobenzoate, ≥95%. Offered by: Chemat. Available pack sizes: 50mg.

tert-butyl 3-isothiocyanatobenzoate, ≥95%
Chemat
  • size: 50mg
  • Variants: 1
from 246.80
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Structural formula: {0} (CAS {1})

Tert-butyl 3-isothiocyanatobenzoate (CAS 486415-53-6) is a chemical compound with the molecular formula C12H13NO2S and a molecular weight of 235.30 g/mol. IUPAC name: tert-butyl 3-isothiocyanatobenzoate. InChIKey: WUMCWUULWWVQGT-UHFFFAOYSA-N.

Identity
Molecular formulaC12H13NO2S
Molecular weight235.30 g/mol
IUPAC nametert-butyl 3-isothiocyanatobenzoate
InChIKeyWUMCWUULWWVQGT-UHFFFAOYSA-N
SMILESCC(C)(C)OC(=O)C1=CC(=CC=C1)N=C=S

Computed by PubChem (NCBI)

Synonyms: tert-Butyl 3-isothiocyanatobenzoate, 3-(tert-Butoxycarbonyl)phenyl isothiocyanate, starbld0008321
Isomers (same molecular formula)
4-(3,4-dimethoxyphenyl)-2-methyl-1,3-thiazole C12H13NO2S
2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylic acid C12H13NO2S
6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide C12H13NO2S
ethyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate C12H13NO2S
ethyl 5-amino-3-methyl-1-benzothiophene-2-carboxylate C12H13NO2S
ethyl 5-methyl-3-thiophen-2-yl-1H-pyrrole-2-carboxylate C12H13NO2S
1-(benzenesulfonyl)cyclopentane-1-carbonitrile C12H13NO2S
5-(1,3-benzothiazol-2-yl)pentanoic acid C12H13NO2S
methyl 2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylate C12H13NO2S
N-(2-methylnaphthalen-1-yl)methanesulfonamide C12H13NO2S
1-(1-isocyanobut-3-enylsulfonyl)-4-methylbenzene C12H13NO2S
methyl 4-(1,3-benzothiazol-2-yl)butanoate C12H13NO2S