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1025700-49-5 | 2-Thiazolamine, 5-bromo-4-(1-methylethyl)-
CAS No: 1025700-49-5 Catalog No: AG0007QT MDL No:MFCD09834790
Product Description
Catalog Number:
AG0007QT
Chemical Name:
2-Thiazolamine, 5-bromo-4-(1-methylethyl)-
CAS Number:
1025700-49-5
Molecular Formula:
C6H9BrN2S
Molecular Weight:
221.1181
MDL Number:
MFCD09834790
IUPAC Name:
5-bromo-4-propan-2-yl-1,3-thiazol-2-amine
InChI:
InChI=1S/C6H9BrN2S/c1-3(2)4-5(7)10-6(8)9-4/h3H,1-2H3,(H2,8,9)
InChI Key:
PLPKYAYJIVQOEL-UHFFFAOYSA-N
SMILES:
Nc1nc(c(s1)Br)C(C)C
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.967g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.116g/mol
Monoisotopic Mass:
219.967g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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