Basic information
- CAS
34301-40-1- Standard SMILES
O=C1NC(=O)C(=Cc2ccc([N+](=O)[O-])cc2)S1- InChIKey
DWADLBIRAWMTCN-UHFFFAOYSA-N- Molecular formula
- C10H6N2O4S
- Average molar mass
- 250.23 g/mol
- Monoisotopic mass
- 250.00482767
Names & identifiers
- Preferred name
- 5-(4-Nitrobenzylidene)-1,3-thiazolidine-2,4-dione
- IUPAC
- 5-[(4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
- English name
- 5-[(4-nitrophenyl)methylene]-1,3-thiazolane-2,4-dione
- Molecular formula
- C10H6N2O4S
- Molecular weight
- 250.23
Names & synonyms
34301-40-15-(4-nitrobenzylidene)-1,3-thiazolidine-2,4-dioneDTXSID00377643RefChem:300089DTXCID603286715-[(4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dioneSCHEMBL1249114DWADLBIRAWMTCN-UHFFFAOYSA-N5-(4-nitrobenzyliden)thiazolidine-2,4-dione5-(4-nitro-benzylidene)-thiazolidin-2,4-dione5-(4-Nitrobenzylidene)thiazolidine-2,4-dione2,4-Thiazolidinedione, 5-[(4-nitrophenyl)methylene]-
Show more names
5-[(4-nitrophenyl)methylene]-1,3-thiazolane-2,4-dione(5E)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
Database identifiers
- CAS
34301-40-1- PubChem CID
- 2768264
- DTXSID
DTXSID00377643
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 394
Physicochemical properties
- Melting point
- 266 · 266-268°
- Density
- 1.595 · 1.595±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 5.58 · 5.580±0.10(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers10 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
上海百韧生物科技有限公司13564638271 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
7 records
Compound notes
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