Home Other Building Blocks 5-methylfuran-2-carbothioamide

5-methylfuran-2-carbothioamide

CAS No.:
1093076-67-5
Catalog Number:
AG01AIK0
Molecular Formula:
C6H7NOS
Molecular Weight:
141.1909
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Product Description
Catalog Number:
AG01AIK0
Chemical Name:
5-methylfuran-2-carbothioamide
CAS Number:
1093076-67-5
Molecular Formula:
C6H7NOS
Molecular Weight:
141.1909
MDL Number:
MFCD11179440
IUPAC Name:
5-methylfuran-2-carbothioamide
InChI:
InChI=1S/C6H7NOS/c1-4-2-3-5(8-4)6(7)9/h2-3H,1H3,(H2,7,9)
InChI Key:
CGKHFDOVVVLUFG-UHFFFAOYSA-N
SMILES:
Cc1ccc(o1)C(=S)N
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.025g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
141.188g/mol
Monoisotopic Mass:
141.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties