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782501-81-9 | 1H-Pyrazole, 1-[2-[(2-bromoethyl)thio]ethyl]-3,5-dimethyl-
CAS No: 782501-81-9 Catalog No: AG0054AO MDL No:
Product Description
Catalog Number:
AG0054AO
Chemical Name:
1H-Pyrazole, 1-[2-[(2-bromoethyl)thio]ethyl]-3,5-dimethyl-
CAS Number:
782501-81-9
Molecular Formula:
C9H15BrN2S
Molecular Weight:
263.1978
IUPAC Name:
1-[2-(2-bromoethylsulfanyl)ethyl]-3,5-dimethylpyrazole
InChI:
InChI=1S/C9H15BrN2S/c1-8-7-9(2)12(11-8)4-6-13-5-3-10/h7H,3-6H2,1-2H3
InChI Key:
QJGNAYMYUKUDTP-UHFFFAOYSA-N
SMILES:
BrCCSCCn1nc(cc1C)C
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.014g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.197g/mol
Monoisotopic Mass:
262.014g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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