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145984-34-5 | 1H-Pyrazole-4-carbonyl chloride, 4,5-dihydro-1,3-dimethyl-5-thioxo-
CAS No: 145984-34-5 Catalog No: AG001DLF MDL No:
Product Description
Catalog Number:
AG001DLF
Chemical Name:
1H-Pyrazole-4-carbonyl chloride, 4,5-dihydro-1,3-dimethyl-5-thioxo-
CAS Number:
145984-34-5
Molecular Formula:
C6H7ClN2OS
Molecular Weight:
190.6506
IUPAC Name:
1,3-dimethyl-5-sulfanylidene-4H-pyrazole-4-carbonyl chloride
InChI:
InChI=1S/C6H7ClN2OS/c1-3-4(5(7)10)6(11)9(2)8-3/h4H,1-2H3
InChI Key:
XPWUKACTKUWAJO-UHFFFAOYSA-N
SMILES:
ClC(=O)C1C(=NN(C1=S)C)C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.997g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.645g/mol
Monoisotopic Mass:
189.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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