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1215520-94-7 | 5-Bromopyridine-2-carbothioamide
CAS No: 1215520-94-7 Catalog No: AG01FELO MDL No:
Product Description
Catalog Number:
AG01FELO
Chemical Name:
5-Bromopyridine-2-carbothioamide
CAS Number:
1215520-94-7
Molecular Formula:
C6H5BrN2S
Molecular Weight:
217.0863
IUPAC Name:
5-bromopyridine-2-carbothioamide
InChI:
InChI=1S/C6H5BrN2S/c7-4-1-2-5(6(8)10)9-3-4/h1-3H,(H2,8,10)
InChI Key:
SXLVGDLUSGTMND-UHFFFAOYSA-N
SMILES:
Brc1ccc(nc1)C(=S)N
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:
1.4
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