Home Halogens 4-bromo-2-(methylsulfanyl)-1,3-thiazole-5-carbonitrile

4-bromo-2-(methylsulfanyl)-1,3-thiazole-5-carbonitrile

CAS No.:
1443014-90-1
Catalog Number:
AG01DYRX
Molecular Formula:
C5H3BrN2S2
Molecular Weight:
235.1247
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Product Description
Catalog Number:
AG01DYRX
Chemical Name:
4-bromo-2-(methylsulfanyl)-1,3-thiazole-5-carbonitrile
CAS Number:
1443014-90-1
Molecular Formula:
C5H3BrN2S2
Molecular Weight:
235.1247
MDL Number:
MFCD31706394
IUPAC Name:
4-bromo-2-methylsulfanyl-1,3-thiazole-5-carbonitrile
InChI:
InChI=1S/C5H3BrN2S2/c1-9-5-8-4(6)3(2-7)10-5/h1H3
InChI Key:
OUFORVRHJSUSHV-UHFFFAOYSA-N
SMILES:
CSc1nc(c(s1)C#N)Br
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.892g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.117g/mol
Monoisotopic Mass:
233.892g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties