Thiosemicarbazide - CAS 79-19-6
Catalog: |
BB036313 |
Product Name: |
Thiosemicarbazide |
CAS: |
79-19-6 |
Synonyms: |
Thiosemicarbazide;79-19-6;Hydrazinecarbothioamide;aminothiourea;N-Aminothiourea;1-Aminothiourea;Thiocarbamylhydrazine;Isothiosemicarbazide;2-Thiosemicarbazide;3-Thiosemicarbazide;Thiocarbamoylhydrazine;Semicarbazide, thio-;Aminothio-urea;Thiocarbamoyl hydrazide;1-AMINO-2-THIOUREA;Semicarbazide, 3-thio-;USAF EK-1275;RCRA waste number P116;NSC 2213;MFCD00007620;THIOSEMICARBAZINE;TSZ;CHEMBL256250;DTXSID9021346;6056O8W6ET;NSC-2213;WLN: ZMYZUS;NSC 2213; NSC 31792;DTXCID301346;Isothiosemicarbazide (VAN);CAS-79-19-6;CCRIS 1416;HSDB 6050;EINECS 201-184-7;RCRA waste no. P116;aminohydrazinomethane-1-thione;aminoisothiourea;UNII-6056O8W6ET;AI3-16319;1-azanylthiourea;thio-semicarbazide;H2NNHCSNH2;Thiosemicarbazide, 98%;Thiosemicarbazide, 99%;(aminothioxomethyl)hydrazine;(aminothioxomethyl)-hydrazine;THIOSEMICARBAZIDE [MI];Thiosemicarbazide, p.a., 98%;CHEBI:49929;NSC2213;HY-Y0032;NSC31792;STR00427;1-AMINO-2-THIOUREA [HSDB];Tox21_201348;Tox21_302983;BDBM50236982;NSC-31792;STL194285;AKOS000269047;Thiosemicarbazide, puriss. p.a., 98%;NCGC00091884-01;NCGC00091884-02;NCGC00256506-01;NCGC00258900-01;SY001634;DB-030119;Thiosemicarbazide, purum, >=98.0% (RT);AM20100785;CS-0008325;NS00004203;T0221;EN300-33914;A839613;W-104264;Q16295007;F1908-0101; |
Related CAS: | 1393653-11-6 (Deleted CAS)
|
IUPAC Name: | aminothiourea |
Molecular Weight: | 313.31 |
Molecular Formula: | C16H15N3O4 |
Canonical SMILES: | C1=CC(=CC=C1CC(=O)O)OC(=O)C2=CC=C(C=C2)N=C(N)N |
InChI: | InChI=1S/CH5N3S/c2-1(5)4-3/h3H2,(H3,2,4,5) |
InChI Key: | BRWIZMBXBAOCCF-UHFFFAOYSA-N |
Boiling Point: | 208.6±23.0°C at 760 mmHg |
Melting Point: | 183°C |
Density: | 1.376±0.06 g/cm3 |
Appearance: | Solid |
Decomposition: | When heated to decomposition it emits very toxic fumes of nox and sox |
MDL: | MFCD00007620 |
LogP: | 0.48480 |
Stability: | Stable under recommended storage conditions |
Vapor Pressure: | 0.33 [mmHg] |
GHS Hazard Statement: | H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2016168156-A1 | Fused ring heteroaryl compounds and their use as trk inhibitors | 20141215 |
US-2016002204-A1 | Gls1 inhibitors for treating disease | 20140703 |
US-2016002248-A1 | Gls1 inhibitors for treating disease | 20140703 |
US-2016009704-A1 | Gls1 inhibitors for treating disease | 20140703 |
US-2015366204-A1 | Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto | 20140624 |
PMID | Publication Date | Title | Journal |
29968121 | 20181101 | Synthesis of new chiral 1,3,4-thiadiazole-based di- and tri-arylsulfonamide residues and evaluation of in vitro anti-HIV activity and cytotoxicity | Molecular diversity |
29131470 | 20180101 | Synthesis of some novel pyridine compounds containing bis-1,2,4-triazole/thiosemicarbazide moiety and investigation of their antioxidant properties, carbonic anhydrase, and acetylcholinesterase enzymes inhibition profiles | Journal of biochemical and molecular toxicology |
24513049 | 20140301 | Synthesis and anti-Candidal activity of N-(4-aryl/cyclohexyl)-2-(pyridine-4-yl carbonyl) hydrazinecarbothioamide | Bioorganic & medicinal chemistry letters |
24129274 | 20131014 | Structural studies and investigation on the activity of imidazole-derived thiosemicarbazones and hydrazones against crop-related fungi | Molecules (Basel, Switzerland) |
22980884 | 20121215 | Biological evaluation of coumarin derivatives as mushroom tyrosinase inhibitors | Food chemistry |
Complexity: | 42.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 91.02041835 |
Formal Charge: | 0 |
Heavy Atom Count: | 5 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 91.02041835 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 96.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.2 |
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