5-Hexyl-1,3,4-thiadiazol-2-amine - CAS 52057-91-7
Catalog: |
BB064227 |
Product Name: |
5-Hexyl-1,3,4-thiadiazol-2-amine |
CAS: |
52057-91-7 |
Synonyms: |
5-hexyl-1,3,4-thiadiazol-2-amine |
IUPAC Name: | 5-hexyl-1,3,4-thiadiazol-2-amine |
Description: | 5-Hexyl-1,3,4-thiadiazol-2-amine |
Molecular Weight: | 185.29 |
Molecular Formula: | C8H15N3S |
Canonical SMILES: | CCCCCCC1=NN=C(S1)N |
InChI: | InChI=1S/C8H15N3S/c1-2-3-4-5-6-7-10-11-8(9)12-7/h2-6H2,1H3,(H2,9,11) |
InChI Key: | HCBLNSKOAPHNKQ-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, 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: | 185.09866866 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.09866866 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 80Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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