Home Other Building Blocks 2-[2-methyl-4-(thiophen-2-yl)-1,3-thiazol-5-yl]acetic acid hydrobromide

2-[2-methyl-4-(thiophen-2-yl)-1,3-thiazol-5-yl]acetic acid hydrobromide

CAS No.:
1049701-33-8
Catalog Number:
AG01B65U
Molecular Formula:
C10H10BrNO2S2
Molecular Weight:
320.2259
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Product Description
Catalog Number:
AG01B65U
Chemical Name:
2-[2-methyl-4-(thiophen-2-yl)-1,3-thiazol-5-yl]acetic acid hydrobromide
CAS Number:
1049701-33-8
Molecular Formula:
C10H10BrNO2S2
Molecular Weight:
320.2259
MDL Number:
MFCD06626232
IUPAC Name:
2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid;hydrobromide
InChI:
InChI=1S/C10H9NO2S2.BrH/c1-6-11-10(7-3-2-4-14-7)8(15-6)5-9(12)13;/h2-4H,5H2,1H3,(H,12,13);1H
InChI Key:
JHRFKQFJEGSBED-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1sc(nc1c1cccs1)C.Br
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.934g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
320.219g/mol
Monoisotopic Mass:
318.934g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties