5-Phenyl-4-thiohydantoic acid

CAS

2215-20-5

Catalog Number

ACM2215205

Category

Other Products

Molecular Weight

210.252900 [g/mol]

Molecular Formula

C9H10N2O2S

MSDS COA Spec Sheet

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Specification

Synonyms

N-Phenyl-N-carboxymethylthiourea; (3-phenyl-thioureido)acetic acid; 2-[(phenylcarbamothioyl)amino]acetic acid; 5-Phenyl-4-thiohydantoic acid; Glycine,N-(phenylthiocarbamoyl); U 7130; N-phenyl-N-(carboxymethyl)thiocarbamide; N-Phenylthioureidoacetic acid;

IUPAC Name

2-(phenylcarbamothioylamino)acetic acid

Canonical SMILES

C1=CC=C(C=C1)NC(=S)NCC(=O)O

InChI Key

UWTLARNSDZXILM-UHFFFAOYSA-N

Boiling Point

379.7ºC at 760mmHg

Flash Point

183.5ºC

Density

1.398g/cm³

EC Number

218-676-2

Exact Mass

210.04600

H-Bond Acceptor

H-Bond Donor

Downstream Synthesis Route 1

2215-20-5

2010-15-3

Reference: [1]Wolfe, Derek M.; Schreiner, Peter R.
[Synthesis, 2007, # 13, p. 2002 - 2008]
[2]Location in patent: experimental part
Guzei, Ilia A.; Gunn, Erica M.; Spencer, Lara C.; Schomaker, Jennifer M.; Rigoli, Jared W.
[CrystEngComm, 2011, vol. 13, # 10, p. 3444 - 3450]
[3]Wu, Fangrui; Jiang, Hong; Zheng, Baisong; Kogiso, Mari; Yao, Yuan; Zhou, Chao; Li, Xiao-Nan; Song, Yongcheng
[Journal of Medicinal Chemistry, 2015, vol. 58, # 17, p. 6899 - 6908]

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

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