Home Other Building Blocks tert-butyl 3-carbamothioylbenzoate

tert-butyl 3-carbamothioylbenzoate

CAS No.:
1909326-35-7
Catalog Number:
AG01C1Y2
Molecular Formula:
C12H15NO2S
Molecular Weight:
237.3180
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Product Description
Catalog Number:
AG01C1Y2
Chemical Name:
tert-butyl 3-carbamothioylbenzoate
CAS Number:
1909326-35-7
Molecular Formula:
C12H15NO2S
Molecular Weight:
237.3180
MDL Number:
MFCD29047496
IUPAC Name:
tert-butyl 3-carbamothioylbenzoate
InChI:
InChI=1S/C12H15NO2S/c1-12(2,3)15-11(14)9-6-4-5-8(7-9)10(13)16/h4-7H,1-3H3,(H2,13,16)
InChI Key:
ICDHIWNFHHLVRR-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)C(=S)N)OC(C)(C)C
Properties
Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.082g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
237.317g/mol
Monoisotopic Mass:
237.082g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
84.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties