4-Phenyl-3-thiosemicarbazide

CAS

5351-69-9

Catalog Number

ACM5351699

Category

Other Products

Molecular Weight

167.23

Molecular Formula

C₇H₉N₃S

MSDS COA Spec Sheet

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Specification

Synonyms

4-Phenyl-3-thiosemicarbazide; 1-amino-3-phenylthiourea;

IUPAC Name

1-amino-3-phenylthiourea

Canonical SMILES

C1=CC=C(C=C1)NC(=S)NN

InChI Key

KKIGUVBJOHCXSP-UHFFFAOYSA-N

Boiling Point

281.3ºC at 760mmHg

Melting Point

138-140ºC(lit.)

Flash Point

123.9ºC

Density

1.14g/cm³

Appearance

white to slightly yellow fine crystalline powder

EC Number

226-329-1

Exact Mass

167.05200

Hazard Statements

T,Xi

H-Bond Acceptor

H-Bond Donor

Packing Group

III

Safety Description

S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .

WGK Germany

Downstream Synthesis Route 1

1121-60-4
5351-69-9

6839-89-0

Reference: [1]He, Zhangxu; Qiao, Hui; Yang, Feifei; Zhou, Wenjuan; Gong, Yunpeng; Zhang, Xinhui; Wang, Haojie; Zhao, Bing; Ma, Liying; Liu, Hong-min; Zhao, Wen
[European Journal of Medicinal Chemistry, 2019, vol. 184]

Downstream Synthesis Route 2

872-85-5
5351-69-9

67526-44-7

Reference: [1]Bo-Wang; He, Zhang-Xu; Li, Yi-Han; Liu, Hong-Min; Ma, Li-Ying; Ma, Qin; Tao, Yuan-Yuan; Wang, Hao-Jie; Wu, Hui-Pan; Zhang, Xin-Hui; Zhao, Bing
[European Journal of Medicinal Chemistry, 2020, vol. 199]
[2]Grammaticakis
[Bulletin de la Societe Chimique de France, 1956, p. 109,115][Bulletin de la Societe Chimique de France, 1959, p. 480,490]

Downstream Synthesis Route 3

500-22-1
5351-69-9

67526-46-9

Reference: [1]Bala, Ritu; Bhatia, Robin; Butcher, Ray J.; Jasinksi, Jerry P.; Kaushal, Mani; Lobana, Tarlok Singh
[Acta Crystallographica Section C: Structural Chemistry, 2022, vol. 78, p. 30 - 35]

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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