4-Thiazolecarboxylicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]- supplier

Name
BOC-2-AMINO-4-THIAZOLE-CARBOXYLIC ACID
EINECS 200-258-5
CAS No. 83673-98-7
Density 1.406 g/cm³
Solubility
Melting Point 250-252
Formula C₉H₁₂N₂O₄S
Boiling Point
Molecular Weight 244.271
Flash Point
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Boc-aminothiazole-4-carboxylic acid;2-(tert-Butoxycarbonylamino)thiazole-4-carboxylicacid;2-[(tert-butoxycarbonyl)amino]-1,3-thiazole-4-carboxylic acid;4-thiazolecarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-;2-Boc-aminothiazole-4-carboxylic acid;
PSA 116.76000
LogP 2.26130

4-Thiazolecarboxylicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]- Specification

The 4-Thiazolecarboxylicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, with the CAS registry number 83673-98-7, has the systematic name of 2-[(tert-butoxycarbonyl)amino]-1,3-thiazole-4-carboxylic acid. It belongs to the following product categories: Amines; Blocks; Carboxes; Thiazoles; Pharmacetical; Thiazole. And the molecular formula of the chemical is C₉H₁₂N₂O₄S.

The characteristics of 4-Thiazolecarboxylicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]- are as followings: (1)ACD/LogP: 1.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.82; (4)ACD/LogD (pH 7.4): -2.53; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 96.97 Å²; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 59.53 cm³; (15)Molar Volume: 173.6 cm³; (16)Polarizability: 23.6×10^-24cm³; (17)Surface Tension: 60.5 dyne/cm; (18)Density: 1.406 g/cm³.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)Nc1nc(cs1)C(=O)O
(2)InChI: InChI=1/C9H12N2O4S/c1-9(2,3)15-8(14)11-7-10-5(4-16-7)6(12)13/h4H,1-3H3,(H,12,13)(H,10,11,14)
(3)InChIKey: PIWSRJPUYPNQJE-UHFFFAOYAY

Product Name

BOC-2-AMINO-4-THIAZOLE-CARBOXYLIC ACID

4-Thiazolecarboxylicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]- Specification

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