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88497-62-5 | pyridazine-3-carbothioamide
CAS No: 88497-62-5 Catalog No: AG00IF43 MDL No:MFCD11869742
Product Description
Catalog Number:
AG00IF43
Chemical Name:
pyridazine-3-carbothioamide
CAS Number:
88497-62-5
Molecular Formula:
C5H5N3S
Molecular Weight:
139.1783
MDL Number:
MFCD11869742
IUPAC Name:
pyridazine-3-carbothioamide
InChI:
InChI=1S/C5H5N3S/c6-5(9)4-2-1-3-7-8-4/h1-3H,(H2,6,9)
InChI Key:
UNTFFYYIGIRBML-UHFFFAOYSA-N
SMILES:
NC(=S)c1cccnn1
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.02g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.176g/mol
Monoisotopic Mass:
139.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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