4-Phenylthiosemicarbazide - CAS 5351-69-9
Catalog: |
BB028256 |
Product Name: |
4-Phenylthiosemicarbazide |
CAS: |
5351-69-9 |
Synonyms: |
1-amino-3-phenylthiourea |
IUPAC Name: | 1-amino-3-phenylthiourea |
Description: | 4-Phenylthiosemicarbazide (CAS# 5351-69-9) is a useful research chemical. |
Molecular Weight: | 167.23 |
Molecular Formula: | C7H9N3S |
Canonical SMILES: | C1=CC=C(C=C1)NC(=S)NN |
InChI: | InChI=1S/C7H9N3S/c8-10-7(11)9-6-4-2-1-3-5-6/h1-5H,8H2,(H2,9,10,11) |
InChI Key: | KKIGUVBJOHCXSP-UHFFFAOYSA-N |
Boiling Point: | 281.3 °C at 760 mmHg |
Purity: | 98+ % |
Density: | 1.14 g/cm3 |
Appearance: | White to slightly yellow fine crystalline powder |
MDL: | MFCD00007615 |
LogP: | 2.01090 |
GHS Hazard Statement: | H300 (93.33%): Fatal if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113024628-A | 12-oxo-5 alpha-pregn-16-ene-20-iminourea compounds, preparation method and application | 20210518 |
CN-112679409-A | 4-indole-substituted thiosemicarbazide derivative and preparation method and application thereof | 20210111 |
CN-112250661-A | Method for catalytically synthesizing lactide | 20201118 |
CN-112341370-A | Synthesis method and application of o-vanillin Schiff base platinum complex | 20201113 |
CN-112250697-A | Gold complex with o-vanillin thiosemicarbazone as ligand and synthetic method thereof | 20201023 |
PMID | Publication Date | Title | Journal |
22590021 | 20120401 | (Z)-2-(2-Oxoindolin-3-yl-idene)-N-phenylhydrazinecarbothio-amide | Acta crystallographica. Section E, Structure reports online |
22346926 | 20120201 | (Z)-2-(5-Fluoro-2-oxoindolin-3-yl-idene)-N-phenyl-hydrazinecarbothio-amide | Acta crystallographica. Section E, Structure reports online |
22199669 | 20111201 | (Z)-2-(5-Chloro-2-oxoindolin-3-yl-idene)-N-phenyl-hydrazinecarbothio-amide | Acta crystallographica. Section E, Structure reports online |
22199950 | 20111201 | (Z)-2-(5-Methyl-2-oxoindolin-3-yl-idene)-N-phenyl-hydrazinecarbothio-amide | Acta crystallographica. Section E, Structure reports online |
21754150 | 20110401 | 3-[(E)-(4-Chloro-benzyl-idene)amino]-1-phenyl-thio-urea | Acta crystallographica. Section E, Structure reports online |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.05171847 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.05171847 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 82.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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