Beta-2-Thienyl-D-alanine
Properties
- Molecular formula
- C7H9NO2S
- Molar mass
- 171.21 g/mol
- Exact mass
- 171.0354 Da
- logP
- 0.70Crippen estimate
- Polar surface area
- 63.3 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 3
- Stereocentres
- Rin 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
62561-76-6SMILES
C1=CSC(=C1)C[C@H](C(=O)O)NInChIKey
WTOFYLAWDLQMBZ-ZCFIWIBFSA-NInChI
InChI=1S/C7H9NO2S/c8-6(7(9)10)4-5-2-1-3-11-5/h1-3,6H,4,8H2,(H,9,10)/t6-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- D-2-Thienylalanine
Work with Beta-2-Thienyl-D-alanine
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.
Similar compounds
DL-Phenylalanine150-30-157 % similar
Phenylalanine63-91-257 % similar
D-Phenylalanine673-06-357 % similar
(αS)-α-Amino-3-thiophenepropanoic acid3685-51-655 % similar
(αS)-α-Aminobenzo[b]thiophene-3-propanoic acid72120-71-952 % similar
α-Amino-2-thiopheneacetic acid21124-40-351 % similar
L-α-(2-Thienyl)glycine43189-45-351 % similar
D-Tyrosine556-02-551 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds