chempirical

tert-Butyl N-(thiophen-2-yl)carbamate

C9H13NO2SCAS 56267-50-6199.27 g/mol

Open in Covalent MOL file
OOHNS
Carbamate

Properties

Molecular formula
C9H13NO2S
Molar mass
199.27 g/mol
Exact mass
199.0667 Da
logP
3.10Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
56267-50-6
SMILES
CC(C)(C)OC(=O)NC1=CC=CS1
InChIKey
QTXXTRMGTVEBIN-UHFFFAOYSA-N
InChI
InChI=1S/C9H13NO2S/c1-9(2,3)12-8(11)10-7-5-4-6-13-7/h4-6H,1-3H3,(H,10,11)

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Names and synonyms

1 names
  • tert-Butyl N-(2-thienyl)carbamate

Work with tert-Butyl N-(thiophen-2-yl)carbamate

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

t-Butyl carbanilate3422-01-357 % similar tert-Butyl (4-bromothiophen-2-yl)carbamate868387-45-555 % similar tert-Butyl N-(2-bromo-1,3-thiazol-5-yl)carbamate1094070-77-550 % similar N-(tert-Butoxycarbonyl)-1,2-phenylenediamine146651-75-450 % similar 2-(Boc-amino)pyridine38427-94-050 % similar tert-Butyl N-(4-bromophenyl)-carbamate131818-17-249 % similar (4-Hydroxyphenyl)carbamic acid tert-butyl ester54840-15-249 % similar tert-Butyl (4-aminophenyl)carbamate71026-66-949 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-Ethyl-o-toluenesulfonamide1077-56-1 Ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate4815-24-1 2-(Propane-2-sulfonyl)aniline76697-50-2 N-Ethyl-4-methylbenzenesulfonamide80-39-7

Elsewhere

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