2-Amino-5-(4-chlorophenyl)-1,3,4-thiadiazole - CAS 28004-62-8
Catalog: |
BB019734 |
Product Name: |
2-Amino-5-(4-chlorophenyl)-1,3,4-thiadiazole |
CAS: |
28004-62-8 |
Synonyms: |
5-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine |
IUPAC Name: | 5-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine |
Description: | 2-Amino-5-(4-chlorophenyl)-1,3,4-thiadiazole (CAS# 28004-62-8) is a useful research chemical. |
Molecular Weight: | 211.67 |
Molecular Formula: | C8H6ClN3S |
Canonical SMILES: | C1=CC(=CC=C1C2=NN=C(S2)N)Cl |
InChI: | InChI=1S/C8H6ClN3S/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12) |
InChI Key: | OAVULPOOAHQYDZ-UHFFFAOYSA-N |
Boiling Point: | 383.9 ℃ at 760 mmHg |
Density: | 1.461 g/cm3 |
MDL: | MFCD00980966 |
LogP: | 2.55340 |
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-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-112279845-A | Aryl or heteroaryl substituted thiadiazole compounds and antibacterial application thereof | 20190724 |
WO-2020043866-A1 | Compounds | 20180831 |
EP-3843844-A1 | Compounds | 20180831 |
PMID | Publication Date | Title | Journal |
24161679 | 20131101 | 2-Heteroarylimino-5-arylidene-4-thiazolidinones as a new class of non-nucleoside inhibitors of HCV NS5B polymerase | European journal of medicinal chemistry |
Complexity: | 173 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.9970961 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.9970961 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 80 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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