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2-bromopyridine-3-carbothioamide

2-bromopyridine-3-carbothioamide

CAS: 1379301-55-9

Formula: C6H5BrN2S

SMILES: NC(=S)C1=CC=CN=C1Br

IUPAC: 2-bromopyridine-3-carbothioamide

InChI: InChI=1S/C6H5BrN2S/c7-5-4(6(8)10)2-1-3-9-5/h1-3H,(H2,8,10)

Composition: C (33.20%), H (2.32%), Br (36.81%), N (12.90%), S (14.77%)

Molar Mass: 217.08

Atom Count: 15

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 215.935682
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey WVXQTNYHOYNGPD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.44
Topological Polar Surface Area 38.91
Polarizability 18.49
Ring Count 1
Rotatable Bond Count 1

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