Basic information
- Standard SMILES
c1ccc(-c2nnsc2-c2ccccc2)cc1- InChIKey
QVGVWLHVMVQIQI-UHFFFAOYSA-N- Molecular formula
- C14H10N2S
- Average molar mass
- 238.31 g/mol
- Monoisotopic mass
- 238.05646932
Names & identifiers
- Preferred name
- 4,5-Diphenyl-1,2,3-thiadiazole
- IUPAC
- 4,5-diphenylthiadiazole
- English name
- 4,5-Diphenyl-1,2,3-thiadiazole
- Molecular formula
- C14H10N2S
- Molecular weight
- 238.31
Names & synonyms
4,5-Diphenyl-1,2,3-thiadiazole5393-99-74,5-diphenylthiadiazole4,5-Diphenyl-[1,2,3]thiadiazoleNSC2505MFCD000826871,2,3-Thiadiazole, 4,5-diphenyl-4,2,3-thiadiazoleMaybridge1_007621MLS001182291SCHEMBL170710CHEMBL442964
Show more names
4,5-di(phenyl)thiadiazole
orb3236601HMS563C09DTXSID502774824,5-Diphenyl-1,2,3-thiadiazolHMS2869J071,3-Thiadiazole, 4,5-diphenyl-NSC-25054,5-di-phenyl-1,2,3-thiadiazole
Database identifiers
- CAS
5393-99-7- PubChem CID
- 220169
- DTXSID
DTXSID50277482- ChEMBL
CHEMBL442964- Nikkaji
- J143.016E
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 234
Experimental & physicochemical properties
Solubility<0.3 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 92 · 92-94°C
- form
- solid
- InChI
- 1S/C14H10N2S/c1-3-7-11(8-4-1)13-14(17-16-15-13)12-9-5-2-6-10-12/h1-10H
- InChIKey
- QVGVWLHVMVQIQI-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=CC=C2)=C(C3=CC=CC=C3)SN=N1
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · WGK 3
- HazardClass
- IRRITANT
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses4,5-diphenyl-1,2,3-Thiadiazole is an antibiotic compound with CYP450 inhibitory properties.
Suppliers14 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [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]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
1 records
Linked notes
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