3-Aminothiophene Oxalate - CAS 478149-05-2
Catalog: |
BB026406 |
Product Name: |
3-Aminothiophene Oxalate |
CAS: |
478149-05-2 |
Synonyms: |
oxalic acid;3-thiophenamine; oxalic acid;thiophen-3-amine |
IUPAC Name: | oxalic acid;thiophen-3-amine |
Description: | 3-Aminothiophene Oxalate (CAS# 478149-05-2) is a useful research chemical compound. |
Molecular Weight: | 189.19 |
Molecular Formula: | C6H7NO4S |
Canonical SMILES: | C1=CSC=C1N.C(=O)(C(=O)O)O |
InChI: | InChI=1S/C4H5NS.C2H2O4/c5-4-1-2-6-3-4;3-1(4)2(5)6/h1-3H,5H2;(H,3,4)(H,5,6) |
InChI Key: | XBLAYFVCUPTTOI-UHFFFAOYSA-N |
LogP: | 1.06710 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111018828-A | Fluorine-containing thiophene derivative 3- (N-trifluoroacetylamino) thiophene and synthetic method and application thereof | 20191120 |
CN-111072930-A | Fluorine-containing thiophene derivative polymer film PEDOT-F, and preparation method and application thereof | 20191120 |
CN-111018828-B | Fluorine-containing thiophene derivative 3- (N-trifluoroacetylamino) thiophene and synthetic method and application thereof | 20191120 |
CN-109374806-A | A kind of method of 3- aminothiophene content in measurement bulk pharmaceutical chemicals | 20181107 |
CN-109374806-B | Method for measuring content of 3-aminothiophene in bulk drug | 20181107 |
Complexity: | 118 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.00957888 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.00957888 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 129 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Amines and Anilines
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