2-Amino-4-thiazolecarboxylic acid hydrobromide - CAS 112539-08-9
Catalog: |
BB002990 |
Product Name: |
2-Amino-4-thiazolecarboxylic acid hydrobromide |
CAS: |
112539-08-9 |
Synonyms: |
2-amino-1,3-thiazole-4-carboxylic acid;hydrobromide |
IUPAC Name: | 2-amino-1,3-thiazole-4-carboxylic acid;hydrobromide |
Description: | 2-Amino-4-thiazolecarboxylic acid hydrobromide (CAS# 112539-08-9) is a useful research chemical. |
Molecular Weight: | 225.06 |
Molecular Formula: | C4H4N2O2S · HBr |
Canonical SMILES: | C1=C(N=C(S1)N)C(=O)O.Br |
InChI: | InChI=1S/C4H4N2O2S.BrH/c5-4-6-2(1-9-4)3(7)8;/h1H,(H2,5,6)(H,7,8);1H |
InChI Key: | DZRNWHJFOOMUGU-UHFFFAOYSA-N |
Boiling Point: | 410.9 °C at 760 mmHg |
Purity: | 98 % |
MDL: | MFCD02677963 |
LogP: | 1.96280 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-2722326-A1 | Macrocyclic compounds and their use as kinase inhibitors | 20080424 |
JP-2011518836-A | Macrocycles and their use as kinase inhibitors | 20080424 |
US-2009286778-A1 | Macrocyclic compounds and their use as kinase inhibitors | 20080424 |
US-8871753-B2 | Macrocyclic compounds and their use as kinase inhibitors | 20080424 |
AU-2007270931-A1 | Fused pyrimido compounds | 20060706 |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.92551 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.92551 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 104 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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