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CAS Number: 13178-12-6
5-(4-bromophenyl)-1,3,4-thiadiazol-2-amine

Structure

5-(4-bromophenyl)-1,3,4-thiadiazol-2-amine
Name: 5-(4-bromophenyl)-1,3,4-thiadiazol-2-amine
Synonyms:
General Information
Product Number: 13178126

CAS Registry Number 13178-12-6
Name:
1,​3,​4-​Thiadiazol-​2-​amine, 5-​(4-​bromophenyl)​-
1,3,4-Thiadiazole, 2-amino-5-(p-bromophenyl)- (8CI)
2-Amino-5-(4-bromophenyl)thiadiazole
5-(4-bromophenyl)-1,3,4-thiadiazol-2-amine

 

Chemical Formula: C8H6BrN3S
Exact Mass: 254.95
Molecular Weight: 256.12
m/z: 256.94 (100.0%), 254.95 (98.2%), 255.95 (9.4%), 257.95 (8.7%), 258.94 (4.4%), 257.94 (1.9%), 255.94 (1.1%)

 

InChI:InChI=1S/C8H6BrN3S/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)

InChI Key:KNFZBJVESBZZMI-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=CC=C1C2=NN=C(S2)N)Br

 

Thermal Properties Value Condition Note
Melting Point 247-248 °C Solv: ethanol (64-17-5); water (7732-18-5) (3)CAS
Melting Point 222-224 °C Solv: ethanol (64-17-5) (4)CAS
Melting Point 219-220 °C   (6)CAS
Melting Point 156-157 °C Solv: ethanol (64-17-5); water (7732-18-5) (1)CAS
Melting Point See full text   (2)CAS

Specification

98%

References
  1. (1) Salimon, Jumat; Asian Journal of Chemistry 2010, V22(7), P5289-5296 CAPLUS
  2. (2) Li, Shao-hua; Archives of Pharmacal Research 2008, V31(10), P1231-1239 CAPLUS
  3. (3) Mullick, Pooja; Bulletin of the Korean Chemical Society 2010, V31(8), P2345-2350 CAPLUS
  4. (4) Tu, Guo-Gang; Bioorganic & Medicinal Chemistry 2008, V16(14), P6663-6668 CAPLUS
  5. (6) Khalets'kii, A. M.; Farmatsevtichnii Zhurnal (Kiev) 1966, V21(4), P18-22 CAPLUS
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