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820227-19-8 | 1H-Pyrazole-1-carbodithioic acid, 1-cyano-1-methylethyl ester
CAS No: 820227-19-8 Catalog No: AG004YFK MDL No:
Product Description
Catalog Number:
AG004YFK
Chemical Name:
1H-Pyrazole-1-carbodithioic acid, 1-cyano-1-methylethyl ester
CAS Number:
820227-19-8
Molecular Formula:
C8H9N3S2
Molecular Weight:
211.3072
IUPAC Name:
2-cyanopropan-2-yl pyrazole-1-carbodithioate
InChI:
InChI=1S/C8H9N3S2/c1-8(2,6-9)13-7(12)11-5-3-4-10-11/h3-5H,1-2H3
InChI Key:
YMBNINNBXSLJGA-UHFFFAOYSA-N
SMILES:
N#CC(SC(=S)n1cccn1)(C)C
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.024g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.301g/mol
Monoisotopic Mass:
211.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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