Home Other Building Blocks tert-butyl N-[4-(carbamothioylmethyl)phenyl]carbamate

tert-butyl N-[4-(carbamothioylmethyl)phenyl]carbamate

CAS No.:
1342407-25-3
Catalog Number:
AG019SHH
Molecular Formula:
C13H18N2O2S
Molecular Weight:
266.3592
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Product Description
Catalog Number:
AG019SHH
Chemical Name:
tert-butyl N-[4-(carbamothioylmethyl)phenyl]carbamate
CAS Number:
1342407-25-3
Molecular Formula:
C13H18N2O2S
Molecular Weight:
266.3592
MDL Number:
MFCD17516813
IUPAC Name:
tert-butyl N-[4-(2-amino-2-sulfanylideneethyl)phenyl]carbamate
InChI:
InChI=1S/C13H18N2O2S/c1-13(2,3)17-12(16)15-10-6-4-9(5-7-10)8-11(14)18/h4-7H,8H2,1-3H3,(H2,14,18)(H,15,16)
InChI Key:
CWQQEZZFASCECK-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)CC(=S)N)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:
266.109g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
266.359g/mol
Monoisotopic Mass:
266.109g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties