5-(1-Ethylpentyl)-1,3,4-thiadiazol-2-amine - CAS 299934-91-1
Catalog: |
BB045823 |
Product Name: |
5-(1-Ethylpentyl)-1,3,4-thiadiazol-2-amine |
CAS: |
299934-91-1 |
Synonyms: |
5-(heptan-3-yl)-1,3,4-thiadiazol-2-amine; 5-(ethylpentyl)-1,3,4-thiadiazole-2-ylamine |
IUPAC Name: | 5-heptan-3-yl-1,3,4-thiadiazol-2-amine |
Description: | 5-(1-Ethylpentyl)-1,3,4-thiadiazol-2-amine (CAS# 299934-91-1 ) is a useful research chemical. |
Molecular Weight: | 199.32 |
Molecular Formula: | C9H17N3S |
Canonical SMILES: | CCCCC(CC)C1=NN=C(S1)N |
InChI: | InChI=1S/C9H17N3S/c1-3-5-6-7(4-2)8-11-12-9(10)13-8/h7H,3-6H2,1-2H3,(H2,10,12) |
InChI Key: | AMLAKWGYWRCQAT-UHFFFAOYSA-N |
Boiling Point: | 323.7±25.0 ℃ (Predicted) |
Density: | 1.084±0.06 g/cm3 (Predicted) |
Complexity: | 143 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.11431873 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.11431873 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 80 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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