CAS No.83673-98-7,BOC-2-AMINO-4-THIAZOLE-CARBOXYLIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	83673-98-7
Name:	BOC-2-AMINO-4-THIAZOLE-CARBOXYLIC ACID

Formula:	C₉H₁₂N₂O₄S
Molecular Weight:	244.271
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;
EINECS:	200-258-5
Density:	1.406 g/cm³
Melting Point:	250-252
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	116.76000
LogP:	2.26130

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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