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2-bromo-N-(1,3-thiazol-2-yl)butanamide

2-bromo-N-(1,3-thiazol-2-yl)butanamide

Formula: C7H9BrN2OS

SMILES: CCC(Br)C(=O)NC1=NC=CS1

IUPAC: 2-bromo-N-(1,3-thiazol-2-yl)butanamide

InChI: InChI=1/C7H9BrN2OS/c1-2-5(8)6(11)10-7-9-3-4-12-7/h3-5H,2H2,1H3,(H,9,10,11)

Composition: C (33.75%), H (3.64%), Br (32.07%), N (11.24%), O (6.42%), S (12.87%)

Molar Mass: 249.13

Atom Count: 21

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 247.961897
Formal Charge 0
FSP3 0.43
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey AKJINHVPVKYWNC-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.36
Topological Polar Surface Area 41.99
Polarizability 19.62
Ring Count 1
Rotatable Bond Count 3

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ChemBridge Corp.
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Purity LeadTime Formula PacketSize UnitPrice
95% <4 Days C7H9BrN2OS $58.65$58.65
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Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C7H9BrN2OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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