Home Other Building Blocks tert-butyl N-[3-(methylsulfanyl)phenyl]carbamate

tert-butyl N-[3-(methylsulfanyl)phenyl]carbamate

CAS No.:
146374-45-0
Catalog Number:
AG01EIFM
Molecular Formula:
C12H17NO2S
Molecular Weight:
239.3339
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Product Description
Catalog Number:
AG01EIFM
Chemical Name:
tert-butyl N-[3-(methylsulfanyl)phenyl]carbamate
CAS Number:
146374-45-0
Molecular Formula:
C12H17NO2S
Molecular Weight:
239.3339
MDL Number:
MFCD21170309
IUPAC Name:
tert-butyl N-(3-methylsulfanylphenyl)carbamate
InChI:
InChI=1S/C12H17NO2S/c1-12(2,3)15-11(14)13-9-6-5-7-10(8-9)16-4/h5-8H,1-4H3,(H,13,14)
InChI Key:
VUGRLMLROJKVEC-UHFFFAOYSA-N
SMILES:
CSc1cccc(c1)NC(=O)OC(C)(C)C
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.098g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
239.333g/mol
Monoisotopic Mass:
239.098g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties