Home Other Building Blocks 4-(tert-butoxy)benzene-1-carbothioamide

4-(tert-butoxy)benzene-1-carbothioamide

CAS No.:
1039315-11-1
Catalog Number:
AG019U52
Molecular Formula:
C11H15NOS
Molecular Weight:
209.3079
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Product Description
Catalog Number:
AG019U52
Chemical Name:
4-(tert-butoxy)benzene-1-carbothioamide
CAS Number:
1039315-11-1
Molecular Formula:
C11H15NOS
Molecular Weight:
209.3079
MDL Number:
MFCD11197000
IUPAC Name:
4-[(2-methylpropan-2-yl)oxy]benzenecarbothioamide
InChI:
InChI=1S/C11H15NOS/c1-11(2,3)13-9-6-4-8(5-7-9)10(12)14/h4-7H,1-3H3,(H2,12,14)
InChI Key:
VAEZVEPJNVRCFQ-UHFFFAOYSA-N
SMILES:
NC(=S)c1ccc(cc1)OC(C)(C)C
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.087g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
209.307g/mol
Monoisotopic Mass:
209.087g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties