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1217604-63-1 | Carbamic acid, N-[(1R)-1-(mercaptomethyl)-2-phenylethyl]-, 1,1-dimethylethyl ester
CAS No: 1217604-63-1 Catalog No: AG0015TK MDL No:
Product Description
Catalog Number:
AG0015TK
Chemical Name:
Carbamic acid, N-[(1R)-1-(mercaptomethyl)-2-phenylethyl]-, 1,1-dimethylethyl ester
CAS Number:
1217604-63-1
Molecular Formula:
C14H21NO2S
Molecular Weight:
267.3870
IUPAC Name:
tert-butyl N-[(2R)-1-phenyl-3-sulfanylpropan-2-yl]carbamate
InChI:
InChI=1S/C14H21NO2S/c1-14(2,3)17-13(16)15-12(10-18)9-11-7-5-4-6-8-11/h4-8,12,18H,9-10H2,1-3H3,(H,15,16)/t12-/m1/s1
InChI Key:
PYBYEBRVJRDWPB-GFCCVEGCSA-N
SMILES:
SC[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
267.129g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.387g/mol
Monoisotopic Mass:
267.129g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
39.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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