Basic information
- CAS
942-70-1- Standard SMILES
Nc1nnc(-c2ccc(F)cc2)s1- InChIKey
WRSVCKNLHZWSNJ-UHFFFAOYSA-N- Molecular formula
- C8H6FN3S
- Average molar mass
- 195.22 g/mol
- Monoisotopic mass
- 195.02664654
Names & identifiers
- Preferred name
- 2-Amino-5-(4-fluorophenyl)-1,3,4-thiadiazole
- IUPAC
- 5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine
- English name
- 2-Amino-5-(4-fluorophenyl)-1 3 4-thiadi&
- Molecular formula
- C8H6FN3S
- Molecular weight
- 195.22
Names & synonyms
2-Amino-5-(4-fluorophenyl)-1,3,4-thiadiazoleRefChem:464454624-018-95-(4-Fluorophenyl)-1,3,4-thiadiazol-2-amine942-70-1MFCD009812195-(4-Fluoro-phenyl)-[1,3,4]thiadiazol-2-ylamineF0345-37135-(4-fluorophenyl)-1,3,4-thiadiazole-2-ylamineCambridge id 5554904Oprea1_492697Oprea1_665684
Show more names
2-Amino-5-(4-fluorophenyl)-1 3 4-thiadi&1,3,4-Thiadiazol-2-amine, 5-(4-fluorophenyl)-2-Amino-5-(4-fluorophenyl)-1,3,4-thiadiazole 97%5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine(SALTDATA: FREE)JRH-02707, 5-(4-Fluorophenyl)-1,3,4-thiadiazol-2-amine, 97%5-(4-Fluorophenyl)-1,3,4-thiadiazol-2-amine, 1-(5-Amino-1,3,4-thiadiazol-2-yl)-4-fluorobenzene
MLS000106676SCHEMBL1143313CHEMBL1711247DTXSID10339176HMS2461A20SMSSF-0188081SBB004447STK346807
Database identifiers
- CAS
942-70-1
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Melting point
- 238 · 238-243 °C
- storage temp.
- 2 · 2-8°C, protect from light
- form
- solid
- Appearance
- White to off-white Solid
- InChI
- 1S/C8H6FN3S/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)
- InChIKey
- WRSVCKNLHZWSNJ-UHFFFAOYSA-N
- SMILES
- Nc1nnc(s1)-c2ccc(F)cc2
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 305 · P305+P351+P338
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36
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, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2934999090
- risk_code
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Applications
Uses2-Amino-5-(4-fluorophenyl)-1,3,4-thiadiazole can be used as a substrate in the preparation of:Bithiophene based azo dyes with possible nonlinear optical (NLO) properties.4-Thiazolidinone derivatives as potent HCV NS5B polymerase inhibitors.1,3,4-Thiadiazole and phenothiazine hybrids as possible antitubercular agents.
Suppliers37 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
西安美科生物科技有限公司029-18710438009 18710438009 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
苏州岚云医药科技有限公司2332782371 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
许昌峰飞新材料科技有限公司19713077352; 19713077352 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
Related reactions
6 records
Compound notes
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