Home Other Building Blocks N-(1-carbamothioylpropyl)benzamide

N-(1-carbamothioylpropyl)benzamide

CAS No.:
97723-93-8
Catalog Number:
AG01AIKJ
Molecular Formula:
C11H14N2OS
Molecular Weight:
222.3067
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Product Description
Catalog Number:
AG01AIKJ
Chemical Name:
N-(1-carbamothioylpropyl)benzamide
CAS Number:
97723-93-8
Molecular Formula:
C11H14N2OS
Molecular Weight:
222.3067
MDL Number:
MFCD12792661
IUPAC Name:
N-(1-amino-1-sulfanylidenebutan-2-yl)benzamide
InChI:
InChI=1S/C11H14N2OS/c1-2-9(10(12)15)13-11(14)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H2,12,15)(H,13,14)
InChI Key:
QYDNVCLWSYILGK-UHFFFAOYSA-N
SMILES:
CCC(C(=S)N)NC(=O)c1ccccc1
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.083g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
222.306g/mol
Monoisotopic Mass:
222.083g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties