N-Boc-2-amino-5-bromothiazole supplier

Name
N-BOC-2-AMINO-5-BROMOTHIAZOLE
EINECS
CAS No. 405939-39-1
Article Data30
CAS DataBase
Density 1.574 g/cm³
Solubility Slightly soluble in water.
Melting Point
Formula C₈H₁₁BrN₂O₂S
Boiling Point
Molecular Weight 279.158
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Carbamicacid, (5-bromo-2-thiazolyl)-, 1,1-dimethylethyl ester (9CI);(5-Bromothiazol-2-yl)carbamic acid tert-butyl ester;tert-Butyl(5-bromo-1,3-thiazol-2-yl)carbamate;tert-ButylN-(5-bromothiazol-2-yl)carbamate;
PSA 79.46000
LogP 3.32560

N-Boc-2-amino-5-bromothiazole Specification

The CAS register number of Carbamicacid, N-(5-bromo-2-thiazolyl)-, 1,1-dimethylethyl ester is 405939-39-1. It also can be called as (tert-butoxy)-N-(5-bromo(1,3-thiazol-2-yl))carboxamide and the systematic name about this chemical is tert-butyl N-(5-bromothiazol-2-yl)carbamate. The molecular formula about this chemical is C₈H₁₁BrN₂O₂S and the molecular weight is 279.15. It belongs to the following product categories which include Thiazole; API intermediates and so on.

Physical properties about Carbamicacid, N-(5-bromo-2-thiazolyl)-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 2.80; (2)ACD/LogD (pH 5.5): 1.864; (3)ACD/LogD (pH 7.4): 0.858; (4)ACD/BCF (pH 5.5): 9.172; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 92.314; (7)ACD/KOC (pH 7.4): 9.109; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 79.46Å²; (12)Index of Refraction: 1.596; (13)Molar Refractivity: 60.3 cm³; (14)Molar Volume: 177.335 cm³; (15)Polarizability: 23.905x10^-24cm³; (16)Surface Tension: 50.584 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)Nc1ncc(s1)Br
(2)InChI: InChI=1/C8H11BrN2O2S/c1-8(2,3)13-7(12)11-6-10-4-5(9)14-6/h4H,1-3H3,(H,10,11,12)
(3)InChIKey: OIBKBVFFZYCBAQ-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C8H11BrN2O2S/c1-8(2,3)13-7(12)11-6-10-4-5(9)14-6/h4H,1-3H3,(H,10,11,12)
(5)Std. InChIKey: OIBKBVFFZYCBAQ-UHFFFAOYSA-N

Product Name

N-BOC-2-AMINO-5-BROMOTHIAZOLE

N-Boc-2-amino-5-bromothiazole Specification

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