Basic information
- CAS
140-40-9- Standard SMILES
CC(=O)Nc1ncc([N+](=O)[O-])s1- InChIKey
UJRRDDHEMZLWFI-UHFFFAOYSA-N- Molecular formula
- C5H5N3O3S
- Average molar mass
- 187.18 g/mol
- Monoisotopic mass
- 187.0051622
Overview
Aminitrozole is a member of acetamides and an aromatic amide.
Names & identifiers
- Preferred name
- Nithiamide
- IUPAC
- N-(5-nitro-1,3-thiazol-2-yl)acetamide
- English name
- 2-Acetamido-5-nitrothiazole
- Molecular formula
- C5H5N3O3S
- Molecular weight
- 187.18
Names & synonyms
Nithiamide140-40-92-Acetamido-5-nitrothiazoleAminitrozoleAcinitrazoleAminitrozolNitazoleAcetamide, N-(5-nitro-2-thiazolyl)-N-(5-Nitro-2-thiazolyl)acetamideAminitrozolumCL 5,279DTXSID6046391
Show more names
CL 5279GynofonNitasolNitazolPleocideTricogenTricoralTritheon
2-(Acetylamino)-5-nitrothiazoleNSC-31539NSC-459149CBM60191ZCL-5279DTXCID40263912-acetylamino-5-nitrothiazoleRefChem:166024
Database identifiers
- CAS
140-40-9- PubChem CID
- 8798
- DTXSID
DTXSID6046391- ChEMBL
CHEMBL1872946- ChEBI
CHEBI:134832- UNII
- 9CBM60191Z
- EC Number
- 205-414-7
- Nikkaji
- J5.654E
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 205
Experimental & physicochemical properties
LogP1.3
Ionization Efficiency
Positive
0.82
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
Physicochemical properties
- Melting point
- 263 °C · 263°C (dec.)
- Boiling point
- 421 ° · 421°
- Density
- 1.546 · 1.546 (estimate)
- refractive index
- 1.656 · 1.6560 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- 3 · DMF:3.0(Max Conc. mg/mL);16.03(Max Conc. mM)DMSO:10.0(Max Conc. mg/mL);53.43(Max Conc. mM)
- form
- solid
- pka
- 8.78 · 8.78±0.50(Predicted)
- color
- White to Amber
- Merck
- 14 · 14,410
- BRN
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Acetamide, N-(5-nitro-2-thiazolyl)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- rtecs
- XJ1570000
- hs_code
- 29341000
- Toxicity
- chicken,LD50,oral,800mg/kg (800mg/kg),Antibiotics and Chemotherapy Vol. 5, Pg. 540, 1955.
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07,GHS06
- hazard_code
- Xn
- safety_code
- 22-36/37-24/25
- Hazard statements
- H228-H302+H312+H332-H302-H301
- Precautionary statements
- P301+P310a-P321-P405-P501a-P210-P240-P241-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501
Chemistry & industry
Applications
Usesantiinflammatory, glucocorticoid
UsesNithiamide is a drug for chemotherapy. A protistocide drug with antibacterial activity.
Upstream & downstream products
Upstream raw materials
Suppliers93 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
上海弘顺生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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