2-[(4-Nitrophenyl)amino]-1,3-thiazol-4(5H)-one - CAS 66625-40-9
Catalog: |
BB048713 |
Product Name: |
2-[(4-Nitrophenyl)amino]-1,3-thiazol-4(5H)-one |
CAS: |
66625-40-9 |
Synonyms: |
(2Z)-2-[(4-nitrophenyl)imino]-1,3-thiazolidin-4-one; 2-[(4-nitrophenyl)azamethylene]-1,3-thiazolidin-4-one; 4(5H)-Thiazolone, 2-[(4-nitrophenyl)amino]-; 4-thiazolidinone, 2-[(4-nitrophenyl)imino]-, (2Z)-; 2-(4-nitroanilino)-1,3-thiazol-4-one |
IUPAC Name: | 2-(4-nitrophenyl)imino-1,3-thiazolidin-4-one |
Description: | 2-[(4-Nitrophenyl)amino]-1,3-thiazol-4(5H)-one (CAS# 66625-40-9 ) is a useful research chemical. |
Molecular Weight: | 237.24 |
Molecular Formula: | C9H7N3O3S |
Canonical SMILES: | C1C(=O)NC(=NC2=CC=C(C=C2)[N+](=O)[O-])S1 |
InChI: | InChI=1S/C9H7N3O3S/c13-8-5-16-9(11-8)10-6-1-3-7(4-2-6)12(14)15/h1-4H,5H2,(H,10,11,13) |
InChI Key: | JYLJFZSISBAXEA-UHFFFAOYSA-N |
Boiling Point: | 413.4±47.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.6±0.1 g/cm3 |
Complexity: | 331 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.02081227 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.02081227 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 113 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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