Home Other Building Blocks 1-methyl-1H-1,2,3-triazole-4-carbothioamide

1-methyl-1H-1,2,3-triazole-4-carbothioamide

CAS No.:
1849225-56-4
Catalog Number:
AG01B2IA
Molecular Formula:
C4H6N4S
Molecular Weight:
142.1822
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Product Description
Catalog Number:
AG01B2IA
Chemical Name:
1-methyl-1H-1,2,3-triazole-4-carbothioamide
CAS Number:
1849225-56-4
Molecular Formula:
C4H6N4S
Molecular Weight:
142.1822
MDL Number:
MFCD29991621
IUPAC Name:
1-methyltriazole-4-carbothioamide
InChI:
InChI=1S/C4H6N4S/c1-8-2-3(4(5)9)6-7-8/h2H,1H3,(H2,5,9)
InChI Key:
ODYJBZUGJMCLMP-UHFFFAOYSA-N
SMILES:
Cn1cc(nn1)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:
142.031g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
142.18g/mol
Monoisotopic Mass:
142.031g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties