Urea, 1-(4-(p-nitrophenyl)-2-thiazolyl)-2-thio-
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Basic information
- CAS
14015-63-5- Standard SMILES
NC(=S)Nc1ncc(-c2ccc([N+](=O)[O-])cc2)s1- InChIKey
FSSQCFNZJODDJL-UHFFFAOYSA-N- Molecular formula
- C10H8N4O2S2
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 280.00886786
Names & identifiers
- Preferred name
- Urea, 1-(4-(p-nitrophenyl)-2-thiazolyl)-2-thio-
- IUPAC
- [5-(4-nitrophenyl)-1,3-thiazol-2-yl]thiourea
- English name
- [4-(p-Nitrophenyl)-2-thiazolyl]thiourea
- Molecular formula
- C10H8N4O2S2
- Molecular weight
- 280.33
Names & synonyms
2-Thioureido-4-(p-nitrophenyl)thiazoleBRN 10090821-(4-(p-Nitrophenyl)-2-thiazolyl)-2-thioureaUrea, 1-(4-(p-nitrophenyl)-2-thiazolyl)-2-thio-RefChem:38746014015-63-5[5-(4-nitrophenyl)-1,3-thiazol-2-yl]thiourea[4-(p-Nitrophenyl)-2-thiazolyl]thioureaDTXSID50930722AKOS030240209N-[5-(4-Nitrophenyl)-1,3-thiazol-2-yl]carbamimidothioic acid1-[4-(p-Nitrophenyl)thiazol-2-yl]thiourea
Show more names
1-[4-(4-Nitrophenyl)thiazol-2-yl]thiourea[4-(4-nitro-phenyl)-thiazol-2-yl]-thioureaThiourea, N-[4-(4-nitrophenyl)-2-thiazolyl]-Amino{[4-(4-nitrophenyl)thiazol-2yl)]amino}methane-1-thione
Database identifiers
- CAS
14015-63-5- PubChem CID
- 3034243
- DTXSID
DTXSID50930722
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- Boiling point
- 506.6 · 506.6±42.0 °C(Predicted)
- Density
- 1.58 · 1.580±0.06 g/cm3(Predicted)
- pka
- 6.4 · 6.40±0.70(Predicted)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331-H315-H319-H335-H350
- Precautionary statements
- 280 · P280-P301+P310-P260
- HS Code
- 2934100090 · 2934100090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934100090
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301+H311+H331-H315-H319-H335-H350
- Precautionary statements
- P280-P301+P310-P260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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