1,3,4-Thiadiazol-2-amine,5-(4-nitrophenyl)

Modify Date: 2025-08-27 10:46:28

1,3,4-Thiadiazol-2-amine,5-(4-nitrophenyl) Structure
1,3,4-Thiadiazol-2-amine,5-(4-nitrophenyl) structure
Common Name 1,3,4-Thiadiazol-2-amine,5-(4-nitrophenyl)
CAS Number 833-63-6 Molecular Weight 222.22400
Density 1.535g/cm3 Boiling Point 454.4ºC at 760 mmHg
Molecular Formula C8H6N4O2S Melting Point 257-261ºC(lit.)
MSDS N/A Flash Point 228.6ºC

 Names

Name 5-(4-nitrophenyl)-1,3,4-thiadiazol-2-amine
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.535g/cm3
Boiling Point 454.4ºC at 760 mmHg
Melting Point 257-261ºC(lit.)
Molecular Formula C8H6N4O2S
Molecular Weight 222.22400
Flash Point 228.6ºC
Exact Mass 222.02100
PSA 125.86000
LogP 2.79990
Index of Refraction 1.703
InChIKey XAPNDVNSXWXPJS-UHFFFAOYSA-N
SMILES Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XI3603000
CHEMICAL NAME :
1,3,4-Thiadiazole, 2-amino-5-(p-nitrophenyl)-
CAS REGISTRY NUMBER :
833-63-6
BEILSTEIN REFERENCE NO. :
0212376
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H6-N4-O2-S
MOLECULAR WEIGHT :
222.24
WISWESSER LINE NOTATION :
T5NN DSJ CZ ER DNW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
193 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Cardiac - other changes Lungs, Thorax, or Respiration - other changes
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 13,187,1958

 Safety Information

Hazard Codes Xi: Irritant;
Risk Phrases 36/37/38
Safety Phrases 26-36
HS Code 2934999090

 Synthetic Route

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Bioassay

View more

Name: qHTS screening for TAG (triacylglycerol) accumulators in algae
Source: 11812
Target: N/A
External Id: FATTTLab-Algae-Lipid
Name: Small-molecule inhibitors of ST2 (IL1RL1)
Source: 20881
Target: interleukin-1 receptor-like 1 isoform [homo sapiens]
External Id: ST2_IL33_Inhibitors_Primary_Screening_77700
Name: Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glucopyr...
Source: ChEMBL
Target: Maltase-glucoamylase
External Id: CHEMBL4305675
Name: Alphascreen assay for small molecules abrogating mHTT-CaM Interaction
Source: 24983
Target: Huntingtin
External Id: KUHTS-Muma KU-CaM-Htt INH-01
Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN
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 Synonyms

2-amino-5-p-nitrophenyl-1,3,4-thiadiazole
2-Amino-5-p-nitrofenil-1,3,4-tiadiazolo
L 1470
MFCD00046073
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