Basic information
- CAS
41421-07-2- Standard SMILES
O=[N+]([O-])c1cccc(-c2n[nH]c(=S)o2)c1- InChIKey
WRBROPFHVKCQKV-UHFFFAOYSA-N- Molecular formula
- C8H5N3O3S
- Average molar mass
- 223.21 g/mol
- Monoisotopic mass
- 223.0051622
Names & identifiers
- Preferred name
- 5-(3-Nitrophenyl)-1,3,4-oxadiazole-2-thiol
- IUPAC
- 5-(3-nitrophenyl)-3H-1,3,4-oxadiazole-2-thione
- English name
- 5-(3-Nitrophenyl)-1,3,4-oxadiazole-2-thiol
- Molecular formula
- C8H5N3O3S
- Molecular weight
- 223.21
Names & synonyms
5-(3-nitrophenyl)-1,3,4-oxadiazole-2-thiol41421-07-25-(3-nitrophenyl)-3H-1,3,4-oxadiazole-2-thioneNSC5168355-(3-Nitro-phenyl)-[1,3,4]oxadiazole-2-thiol5-(3-Nitrophenyl)-1,3,4-oxadiazole-2(3H)-thioneSCHEMBL29006444SCHEMBL30362152DTXSID90355258STK869194AKOS000296848AKOS023553164
Show more names
1,3,4-Oxadiazole-2(3H)-thione, 5-(3-nitrophenyl)-
NSC-516835CS-0233180ST50340256EN300-13156AB00089690-012-{3-nitrophenyl}-5-sulfanyl-1,3,4-oxadiazoleAP-034/15222008Z90123304
Database identifiers
- CAS
41421-07-2- PubChem CID
- 794891
- DTXSID
DTXSID90355258- Nikkaji
- J920.513F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 326
Chemistry & industry
Suppliers7 total
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
菏泽书颖生物科技有限公司18553078733 · [email protected]
山东碳氢生物化工有限公司13060081947 13060081947 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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