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232612-30-5 | Carbamic acid, [(5-cyano-2-thiazolyl)methyl]-, 1,1-dimethylethyl ester (9CI)
CAS No: 232612-30-5 Catalog No: AG002MPA MDL No:MFCD20278366
Product Description
Catalog Number:
AG002MPA
Chemical Name:
Carbamic acid, [(5-cyano-2-thiazolyl)methyl]-, 1,1-dimethylethyl ester (9CI)
CAS Number:
232612-30-5
Molecular Formula:
C10H13N3O2S
Molecular Weight:
239.2941
MDL Number:
MFCD20278366
IUPAC Name:
tert-butyl N-[(5-cyano-1,3-thiazol-2-yl)methyl]carbamate
InChI:
InChI=1S/C10H13N3O2S/c1-10(2,3)15-9(14)13-6-8-12-5-7(4-11)16-8/h5H,6H2,1-3H3,(H,13,14)
InChI Key:
ZSQARDQMIGWDBZ-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(s1)CNC(=O)OC(C)(C)C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.073g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.293g/mol
Monoisotopic Mass:
239.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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