Home Other Building Blocks 2-(2,5-dimethylphenyl)ethanethioamide

2-(2,5-dimethylphenyl)ethanethioamide

CAS No.:
32669-54-8
Catalog Number:
AG01ABQ2
Molecular Formula:
C10H13NS
Molecular Weight:
179.2819
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Product Description
Catalog Number:
AG01ABQ2
Chemical Name:
2-(2,5-dimethylphenyl)ethanethioamide
CAS Number:
32669-54-8
Molecular Formula:
C10H13NS
Molecular Weight:
179.2819
MDL Number:
MFCD14676744
IUPAC Name:
2-(2,5-dimethylphenyl)ethanethioamide
InChI:
InChI=1S/C10H13NS/c1-7-3-4-8(2)9(5-7)6-10(11)12/h3-5H,6H2,1-2H3,(H2,11,12)
InChI Key:
SIGVLMJBOJEXIH-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1CC(=S)N)C
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.077g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.281g/mol
Monoisotopic Mass:
179.077g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties