4-Benzo[1,3]dioxol-5-yl-thiazol-2-yl-amine - CAS 185613-91-6
Catalog: |
BB061608 |
Product Name: |
4-Benzo[1,3]dioxol-5-yl-thiazol-2-yl-amine |
CAS: |
185613-91-6 |
Synonyms: |
4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-amine; 4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine; 4-benzo[1,3]dioxol-5-yl-thiazol-2-yl-amine; 4-Benzo[1,3]dioxol-5-yl-thiazol-2-ylamine; 2-Thiazolamine, 4-(1,3-benzodioxol-5-yl)-; 4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine; thiazol-2-amine, 8 |
IUPAC Name: | 4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine |
Description: | 4-Benzo[1,3]dioxol-5-yl-thiazol-2-yl-amine |
Molecular Weight: | 220.25 |
Molecular Formula: | C10H8N2O2S |
Canonical SMILES: | C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)N |
InChI: | InChI=1S/C10H8N2O2S/c11-10-12-7(4-15-10)6-1-2-8-9(3-6)14-5-13-8/h1-4H,5H2,(H2,11,12) |
InChI Key: | AKVSKDDSOWLASE-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.03064868 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.03064868 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 85.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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