| Identification | Back Directory | [Name]
Benzo[b]thiophene-4-carboxylic acid, 2-amino-3-cyano-4,5,6,7-tetrahydro-4-methyl-, (4S)- | [CAS]
2749963-99-1 | [Synonyms]
(S)-2-amino-3-cyano-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-4-carboxylic acid
(R)-2-Amino-3-cyano-4-methyl-4,5,6,7-tetrahydro-benzo[b]thiophene-4-carboxylic acid
Benzo[b]thiophene-4-carboxylic acid, 2-amino-3-cyano-4,5,6,7-tetrahydro-4-methyl-, (4S)- | [Molecular Formula]
C11H12N2O2S | [MOL File]
2749963-99-1.mol | [Molecular Weight]
236.29 |
| Chemical Properties | Back Directory | [Boiling point ]
505.1±50.0 °C(Predicted) | [density ]
1.41±0.1 g/cm3(Predicted) | [pka]
3.91±0.20(Predicted) | [InChI]
InChI=1S/C11H12N2O2S/c1-11(10(14)15)4-2-3-7-8(11)6(5-12)9(13)16-7/h2-4,13H2,1H3,(H,14,15)/t11-/m0/s1 | [InChIKey]
IITRDERXWQUMAG-NSHDSACASA-N | [SMILES]
C12CCC[C@](C)(C(O)=O)C=1C(C#N)=C(N)S2 |
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