3-tert-Butyl-1,2,4-thiadiazol-5-amine - CAS 13383-44-3
Catalog: |
BB070805 |
Product Name: |
3-tert-Butyl-1,2,4-thiadiazol-5-amine |
CAS: |
13383-44-3 |
Synonyms: |
3-(tert-Butyl)-1,2,4-thiadiazol-5-amine; 3-tert-butyl-1,2,4-thiadiazol-5-amine; 5-Amino-3-(tert-butyl)-1,2,4-thiadiazole |
IUPAC Name: | 3-tert-butyl-1,2,4-thiadiazol-5-amine |
Molecular Weight: | 157.24 |
Molecular Formula: | C6H11N3S |
Canonical SMILES: | CC(C)(C)C1=NSC(=N1)N |
InChI: | InChI=1S/C6H11N3S/c1-6(2,3)4-8-5(7)10-9-4/h1-3H3,(H2,7,8,9) |
InChI Key: | QKMOPVJLRQVWKD-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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 121 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.06736854 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.06736854 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 80Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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