Home Other Building Blocks 3,5-DIMETHYLBENZENE-1-CARBOTHIOAMIDE

3,5-DIMETHYLBENZENE-1-CARBOTHIOAMIDE

CAS No.:
668478-79-3
Catalog Number:
AG01DWL2
Molecular Formula:
C9H11NS
Molecular Weight:
165.2553
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Product Description
Catalog Number:
AG01DWL2
Chemical Name:
3,5-DIMETHYLBENZENE-1-CARBOTHIOAMIDE
CAS Number:
668478-79-3
Molecular Formula:
C9H11NS
Molecular Weight:
165.2553
MDL Number:
MFCD16069684
IUPAC Name:
3,5-dimethylbenzenecarbothioamide
InChI:
InChI=1S/C9H11NS/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H2,10,11)
InChI Key:
QBUJRCNPSCFHLK-UHFFFAOYSA-N
SMILES:
NC(=S)c1cc(C)cc(c1)C
Properties
Complexity:
146  
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:
2.2  
Properties