Home Halogens 5-bromopyridine-3-carbothioamide

5-bromopyridine-3-carbothioamide

CAS No.:
890093-82-0
Catalog Number:
AG00H2LA
Molecular Formula:
C6H5BrN2S
Molecular Weight:
217.0863
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Product Description
Catalog Number:
AG00H2LA
Chemical Name:
5-bromopyridine-3-carbothioamide
CAS Number:
890093-82-0
Molecular Formula:
C6H5BrN2S
Molecular Weight:
217.0863
MDL Number:
MFCD07440116
IUPAC Name:
5-bromopyridine-3-carbothioamide
InChI:
InChI=1S/C6H5BrN2S/c7-5-1-4(6(8)10)2-9-3-5/h1-3H,(H2,8,10)
InChI Key:
QYDLEPAVFFXKAZ-UHFFFAOYSA-N
SMILES:
NC(=S)c1cc(Br)cnc1
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.936g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.084g/mol
Monoisotopic Mass:
215.936g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties