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5-bromopyrazin-2-ylthiourea

5-bromopyrazin-2-ylthiourea

CAS: 912771-40-5

Formula: C5H5BrN4S

SMILES: NC(=S)NC1=CN=C(Br)C=N1

IUPAC: (5-bromopyrazin-2-yl)thiourea

InChI: InChI=1S/C5H5BrN4S/c6-3-1-9-4(2-8-3)10-5(7)11/h1-2H,(H3,7,9,10,11)

Composition: C (25.77%), H (2.16%), Br (34.28%), N (24.04%), S (13.75%)

Molar Mass: 233.09

Atom Count: 16

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 231.94183
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey QSWSDHQPFQGJMU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.05
Topological Polar Surface Area 63.83
Polarizability 19.04
Ring Count 1
Rotatable Bond Count 1

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