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tert-butyl N-(4-formyl-1,3-thiazol-2-yl)carbamate

tert-butyl N-(4-formyl-1,3-thiazol-2-yl)carbamate

CAS: 494769-34-5

Formula: C9H12N2O3S

SMILES: CC(C)(C)OC(=O)NC1=NC(C=O)=CS1

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

InChI: InChI=1S/C9H12N2O3S/c1-9(2,3)14-8(13)11-7-10-6(4-12)5-15-7/h4-5H,1-3H3,(H,10,11,13)

Composition: C (47.36%), H (5.30%), N (12.27%), O (21.03%), S (14.05%)

Molar Mass: 228.27

Atom Count: 27

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 228.056863428
Formal Charge 0
FSP3 0.44
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey WJJQIZYBOFGKLA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.23
Topological Polar Surface Area 68.29
Polarizability 21.25
Ring Count 1
Rotatable Bond Count 4

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