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1245647-27-1 | Carbamic acid, N-(5-ethenyl-2-thiazolyl)-, 1,1-dimethylethyl ester
CAS No: 1245647-27-1 Catalog No: AG000MC0 MDL No:
Product Description
Catalog Number:
AG000MC0
Chemical Name:
Carbamic acid, N-(5-ethenyl-2-thiazolyl)-, 1,1-dimethylethyl ester
CAS Number:
1245647-27-1
Molecular Formula:
C10H14N2O2S
Molecular Weight:
226.2954
IUPAC Name:
tert-butyl N-(5-ethenyl-1,3-thiazol-2-yl)carbamate
InChI:
InChI=1S/C10H14N2O2S/c1-5-7-6-11-8(15-7)12-9(13)14-10(2,3)4/h5-6H,1H2,2-4H3,(H,11,12,13)
InChI Key:
SEFTVOMSYWODOP-UHFFFAOYSA-N
SMILES:
C=Cc1cnc(s1)NC(=O)OC(C)(C)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.078g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.294g/mol
Monoisotopic Mass:
226.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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