CAS Registry Number: 868387-45-5

Name:

Carbamic acid, N-​(4-​bromo-​2-​thienyl)​-​, 1,​1-​dimethylethyl ester
Carbamic acid, (4-​bromo-​2-​thienyl)​-​, 1,​1-​dimethylethyl ester (9CI); 1,​1-​Dimethylethyl (4-​bromo-​2-​thienyl)​carbamate; tert-​Butyl (4-​bromothiophen-​2-​yl)​carbamate 

Chemical Formula: C9H12BrNO2S
Exact Mass: 276.98
Molecular Weight: 278.17
m/z: 276.98 (100.0%), 278.98 (98.2%), 277.98 (10.7%), 279.98 (10.2%), 278.97 (4.5%), 280.97 (4.4%), 279.97 (1.2%)
Elemental Analysis: C, 38.86; H, 4.35; Br, 28.73; N, 5.04; O, 11.50; S, 11.53

InChI: InChI=1S/C9H12BrNO2S/c1-9(2,3)13-8(12)11-7-4-6(10)5-14-7/h4-5H,1-3H3,(H,11,12)
InChIKey: QNGTVGAIEOIQBR-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)OC(=O)NC1=CC(=CS1)Br

Specification

98%

PCT Int. Appl. (2013), WO 2013047813 A1 20130404.                                  

PCT Int. Appl. (2007), WO 2007133622 A2 20071122.