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141437-85-6 | Carbamic acid, [(1S)-1-(mercaptomethyl)-2-phenylethyl]-, 1,1-dimethylethyl ester (9CI)
CAS No: 141437-85-6 Catalog No: AG001GDS MDL No:MFCD00458798
Product Description
Catalog Number:
AG001GDS
Chemical Name:
Carbamic acid, [(1S)-1-(mercaptomethyl)-2-phenylethyl]-, 1,1-dimethylethyl ester (9CI)
CAS Number:
141437-85-6
Molecular Formula:
C14H21NO2S
Molecular Weight:
267.3870
MDL Number:
MFCD00458798
IUPAC Name:
tert-butyl N-[(2S)-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-/m0/s1
InChI Key:
PYBYEBRVJRDWPB-LBPRGKRZSA-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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