chempirical

(S)-2-Thienylglycine

C6H7NO2SCAS 43189-45-3157.19 g/mol

Open in Covalent MOL file
H2NOHOS
Carboxylic acidPrimary amine

Properties

Molecular formula
C6H7NO2S
Molar mass
157.19 g/mol
Exact mass
157.0197 Da
Melting point
189–191 °C (decomposes)
logP
0.83Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

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
43189-45-3
SMILES
N[C@@H](C(=O)O)c1cccs1
InChIKey
XLMSKXASROPJNG-RXMQYKEDSA-N
InChI
InChI=1S/C6H7NO2S/c7-5(6(8)9)4-2-1-3-10-4/h1-3,5H,7H2,(H,8,9)/t5-/m1/s1

Weigh it out

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

Names and synonyms

9 names
  • L-α-(2-Thienyl)glycine
  • 2-Thiopheneacetic acid, α-amino-, (αS)-
  • 2-Thiopheneacetic acid, α-amino-, (S)-
  • (αS)-α-Amino-2-thiopheneacetic acid
  • D-2-Thienylglycine
  • D(-)-2-Thienylglycine
  • D-2-(2-Thienyl)glycine
  • D-α-Amino-2-thiopheneacetic acid
  • (S)-2-Amino-2-(thiophen-2-yl)acetic acid

Work with (S)-2-Thienylglycine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

α-Amino-2-thiopheneacetic acid21124-40-3Stereo not defined

Similar compounds

Phenylglycine2835-06-553 % similar L-Phenylglycine2935-35-553 % similar DL-Phenylglycine69-91-053 % similar (-)-Phenylglycine875-74-153 % similar 2-Thienylalanine2021-58-151 % similar L-2-Thienylalanine22951-96-851 % similar Beta-2-Thienyl-D-alanine62561-76-651 % similar 2-(2-Thienyl)-4-thiazolidinecarboxylic acid32451-19-749 % similar

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

Same formula

(αR)-α-Amino-3-thiopheneacetic acid1194-86-1 3-(2-Thiazolyl)propionic acid144163-65-5 Ethyl 1,3-thiazole-4-carboxylate14527-43-6 Methyl 3-aminothiophene-2-carboxylate22288-78-4 Ethyl thiazole-5-carboxylate32955-22-9 Methyl 2-amino-3-thiophenecarboxylate4651-81-4 Dimethyl-1,3-thiazole-5-carboxylic acid53137-27-2

Elsewhere

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