2-Amino-5-phenyl-1,3,4-thiadiazole - CAS 2002-03-1
Catalog: |
BB015453 |
Product Name: |
2-Amino-5-phenyl-1,3,4-thiadiazole |
CAS: |
2002-03-1 |
Synonyms: |
5-phenyl-1,3,4-thiadiazol-2-amine |
IUPAC Name: | 5-phenyl-1,3,4-thiadiazol-2-amine |
Description: | 2-Amino-5-phenyl-1,3,4-thiadiazole (CAS# 2002-03-1) is a useful research chemical. |
Molecular Weight: | 177.23 |
Molecular Formula: | C8H7N3S |
Canonical SMILES: | C1=CC=C(C=C1)C2=NN=C(S2)N |
InChI: | InChI=1S/C8H7N3S/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h1-5H,(H2,9,11) |
InChI Key: | UHZHEOAEJRHUBW-UHFFFAOYSA-N |
Boiling Point: | 569.8 °C at 760 mmHg |
Purity: | 98 % |
MDL: | MFCD00205278 |
LogP: | 2.36850 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112480031-A | Emodin amide derivatives containing 1,3, 4-thiadiazole, and synthesis method and application thereof | 20201126 |
CN-110759955-A | Preparation method of Mannich base containing ferrocenyl thiadiazole or oxadiazolyl | 20191119 |
CN-110878106-A | Preparation method of Mannich base containing ferrocenyl thiadiazole or oxadiazolyl | 20191119 |
CN-110724115-A | Method for preparing 2-amino-5-substituted-1, 3, 4-thiadiazole | 20191024 |
CN-110724115-B | Method for preparing 2-amino-5-substituted-1, 3, 4-thiadiazole | 20191024 |
PMID | Publication Date | Title | Journal |
21126022 | 20110113 | Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase | Journal of medicinal chemistry |
21580609 | 20100306 | (2R,3R)-N-(4-Chloro-phen-yl)-2,3-dihydr-oxy-N'-(5-phenyl-1,3,4-thia-diazol-2-yl)succinamide | Acta crystallographica. Section E, Structure reports online |
21582928 | 20090624 | (E)-5-Phenyl-N-(2-thienylmethyl-ene)-1,3,4-thia-diazole-2-amine | Acta crystallographica. Section E, Structure reports online |
16095959 | 20060501 | Theoretical studies of molecular structure and vibrational spectra of 2-amino-5-phenyl-1,3,4-thiadiazole | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
16098792 | 20060501 | Structural and spectroscopic studies on some chloropyrimidine derivatives by experimental and quantum chemical methods | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.03606841 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.03606841 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 80 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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