Home Other Building Blocks 3,4-Dimethylbenzothioamide

3,4-Dimethylbenzothioamide

CAS No.:
58952-03-7
Catalog Number:
AG00E9ZY
Molecular Formula:
C9H11NS
Molecular Weight:
165.2553
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$232
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Product Description
Catalog Number:
AG00E9ZY
Chemical Name:
3,4-Dimethylbenzothioamide
CAS Number:
58952-03-7
Molecular Formula:
C9H11NS
Molecular Weight:
165.2553
MDL Number:
MFCD06738326
IUPAC Name:
3,4-dimethylbenzenecarbothioamide
InChI:
InChI=1S/C9H11NS/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H2,10,11)
InChI Key:
MGSZKKVFYBQMPF-UHFFFAOYSA-N
SMILES:
NC(=S)c1ccc(c(c1)C)C
Properties
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.061g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
165.254g/mol
Monoisotopic Mass:
165.061g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties