Home Other Building Blocks 5-METHYL-1H-PYRAZOLE-3-CARBOTHIOAMIDE

5-METHYL-1H-PYRAZOLE-3-CARBOTHIOAMIDE

CAS No.:
106701-91-1
Catalog Number:
AG01DX9R
Molecular Formula:
C5H7N3S
Molecular Weight:
141.1942
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Product Description
Catalog Number:
AG01DX9R
Chemical Name:
5-METHYL-1H-PYRAZOLE-3-CARBOTHIOAMIDE
CAS Number:
106701-91-1
Molecular Formula:
C5H7N3S
Molecular Weight:
141.1942
MDL Number:
MFCD19207249
IUPAC Name:
5-methyl-1H-pyrazole-3-carbothioamide
InChI:
InChI=1S/C5H7N3S/c1-3-2-4(5(6)9)8-7-3/h2H,1H3,(H2,6,9)(H,7,8)
InChI Key:
CMWCGGNFIYQGEK-UHFFFAOYSA-N
SMILES:
Cc1cc(n[nH]1)C(=S)N
Properties
Complexity:
125  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.036g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
141.192g/mol
Monoisotopic Mass:
141.036g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties