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87110-37-0 | 2-methyl-1H-pyrazole-3-thione
CAS No: 87110-37-0 Catalog No: AG004TZJ MDL No:
Product Description
Catalog Number:
AG004TZJ
Chemical Name:
2-methyl-1H-pyrazole-3-thione
CAS Number:
87110-37-0
Molecular Formula:
C4H6N2S
Molecular Weight:
114.1688
IUPAC Name:
2-methyl-1H-pyrazole-3-thione
InChI:
InChI=1S/C4H6N2S/c1-6-4(7)2-3-5-6/h2-3,5H,1H3
InChI Key:
YJWDKXHUXOGXPN-UHFFFAOYSA-N
SMILES:
Cn1[nH]ccc1=S
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.025g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
114.166g/mol
Monoisotopic Mass:
114.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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