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tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamate

tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamate

CAS: 947179-42-2

Formula: C9H13BrN2O2S

SMILES: CC1=C(Br)SC(NC(=O)OC(C)(C)C)=N1

IUPAC: tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamate

InChI: InChI=1S/C9H13BrN2O2S/c1-5-6(10)15-7(11-5)12-8(13)14-9(2,3)4/h1-4H3,(H,11,12,13)

Composition: C (36.87%), H (4.47%), Br (27.25%), N (9.56%), O (10.91%), S (10.94%)

Molar Mass: 293.18

Atom Count: 28

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 291.988112
Formal Charge 0
FSP3 0.56
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey NTMZSJJTWSSRRG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.41
Topological Polar Surface Area 51.22
Polarizability 24.05
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 947179-42-2 $195.50-$914.25$195.50$442.75$914.25
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