Hydrazinecarbothioamide, 2-phenyl-

Base Information

• Chemical Name: Hydrazinecarbothioamide, 2-phenyl-
• CAS No.: 645-48-7
• Molecular Formula: C7H9 N3 S
• Molecular Weight: 167.235
• Hs Code.: 2930909090
• European Community (EC) Number: 211-444-1
• NSC Number: 179798,25003
• UNII: 6EE7260GUN
• DSSTox Substance ID: DTXSID9060948
• Nikkaji Number: J48.289G
• Mol file: 645-48-7.mol

Synonyms:645-48-7;1-Phenyl-3-thiosemicarbazide;2-Phenylhydrazinecarbothioamide;Hydrazinecarbothioamide, 2-phenyl-;1-Phenylthiosemicarbazide;anilinothiourea;Phenylthiosemicarbazide;Semicarbazide, 1-phenyl-3-thio-;(phenylamino)thiourea;NSC 25003;EINECS 211-444-1;NSC 179798;AI3-03695;6EE7260GUN;NSC-25003;NSC-179798;WLN: SUYZMMR;UNII-6EE7260GUN;SCHEMBL163118;DTXSID9060948;2-Phenylhydrazinecarbothioamide #;2-phenyl-1-hydrazinecarbothioamide;2-Phenylhydrazine-1-carbothioamide;NSC25003;STR05184;BBL010670;MFCD00042739;NSC179798;STL146299;AKOS000120964;NCGC00334364-01;LS-144900;CS-0239260;FT-0682657;P0234;EN300-20852;W18308;AB01327540-02;Z104483868;1-Phenylthiosemicarbazide, for spectrophotometric det. of Co, >=99.0%

Chemical Property of Hydrazinecarbothioamide, 2-phenyl-

Chemical Property:

• Vapor Pressure: 0.00248mmHg at 25°C
• Melting Point: ~200 °C (dec.)
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 287.4°C at 760 mmHg
• PKA: 9.10±0.70(Predicted)
• Flash Point: 127.6°C
• PSA: 82.17000
• Density: 1.323g/cm³
• LogP: 2.01090
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 167.05171847
• Heavy Atom Count: 11
• Complexity: 132

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Phenyl-3-thiosemicarbazide >98.0%(HPLC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NNC(=S)N

Technology Process of Hydrazinecarbothioamide, 2-phenyl-

There total 43 articles about Hydrazinecarbothioamide, 2-phenyl- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 88.0%

phenylhydrazine hydrochloride (59-88-1) + ammonium thiocyanate (1147550-11-5) → 1-phenyl-3-thiosemicarbazide (645-48-7)

Guidance literature:

In water; at 120 ℃; for 12h;

DOI:10.1016/S0040-4039(00)00493-7

Reference yield: 39.0%

phenylhydrazine (100-63-0) + 1H-1,2,3-benzotriazole-1-carbothioamide (770738-28-8) → 1-phenyl-3-thiosemicarbazide (645-48-7)

Guidance literature:

In toluene; for 18h; Heating;

DOI:10.1055/s-2004-829127

Reference yield:

2-(2'-trifluoromethylphenyl)azo-4-phenyl-1,3,4-thiadiazol-5-one (77811-21-3) → 1-phenyl-3-thiosemicarbazide (645-48-7) + 2-(trifluoromethyl)benzenamine (88-17-5)

Guidance literature:

With sodium hydroxide; zinc; In methanol; Heating;

upstream raw materials:

3,5-dimethyl-1H-pyrazole-1-carbothioamide

phenylhydrazine

sodium cyanide

benzene diazonium chloride

Downstream raw materials:

1-phenyl-1,2,4-triazole-3-thione

bis-(4-bromo-2-nitro-phenyl)-sulfide

5-(4-aminophenyl)-2-amino-1,3-thiazole

4-methyl-2-(N'-phenyl-hydrazino)-thiazole-5-carboxylic acid ethyl ester

Refernces

• 1、 Wu, Zheng,Li, Xin,Chi, Chun-Lan,Xu, Lu,Sun, Yong-Yue,Chen, Bao-Quan. "Synthesis and antitumor effects of a new class of 1,2,4-triazole derivatives". . p. 142 - 151. Retrieved 2020/10/22.
• 2、 Jiang, Bo,Huang, Xiaojing,Yao, Hequan,Jiang, Jieyun,Wu, Xiaoming,Jiang, Siyi,Wang, Qiujuan,Lu, Tao,Xu, Jinyi. "Discovery of potential anti-inflammatory drugs: Diaryl-1,2,4-triazoles bearing N-hydroxyurea moiety as dual inhibitors of cyclooxygenase-2 and 5-lipoxygenase". . p. 2114 - 2127. Retrieved 2014/03/21.