3-(3-Benzo(b)thienyl)alanine
Properties
- Molecular formula
- C11H11NO2S
- Molar mass
- 221.27 g/mol
- Exact mass
- 221.0510 Da
- Melting point
- 248–250 °C (decomposes)
- logP
- 1.86Crippen estimate
- Polar surface area
- 63.3 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 3
- Stereocentres
- Sin SMILES atom order
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
72120-71-9SMILES
N[C@@H](Cc1csc2ccccc12)C(=O)OInChIKey
GAUUPDQWKHTCAX-VIFPVBQESA-NInChI
InChI=1S/C11H11NO2S/c12-9(11(13)14)5-7-6-15-10-4-2-1-3-8(7)10/h1-4,6,9H,5,12H2,(H,13,14)/t9-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- (αS)-α-Aminobenzo[B]thiophene-3-propanoic acid
- Benzo[b]thiophene-3-propanoic acid, α-amino-, (αS)-
- Benzo[b]thiophene-3-propanoic acid, α-amino-, (S)-
- L-Thiotryptophan
- (-)-2-Amino(benzo[b]thiophen-3-yl)propionic acid
- (2S)-2-Amino-3-(1-benzothiophen-3-yl)propanoic acid
Work with 3-(3-Benzo(b)thienyl)alanine
Similar compounds
Dl-3-(1-naphthyl)alanine28095-56-962 % similar
L-1-Naphthylalanine55516-54-662 % similar
D-1-Naphthylalanine78306-92-062 % similar
(R)-3-Amino-4-(3-benzothienyl)butanoic acid hydrochloride269398-95-058 % similar
(S)-3-Amino-4-(3-benzothienyl)butanoic acid hydrochloride270063-44-058 % similar
D-Tryptophan153-94-657 % similar
(±)-Tryptophan54-12-657 % similar
Tryptophan73-22-357 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds