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1261231-26-8 | Pyrimidine, 4-chloro-2-(methylthio)-6-(1-piperazinyl)-, hydrochloride (1:1)
CAS No: 1261231-26-8 Catalog No: AG000ROY MDL No:
Product Description
Catalog Number:
AG000ROY
Chemical Name:
Pyrimidine, 4-chloro-2-(methylthio)-6-(1-piperazinyl)-, hydrochloride (1:1)
CAS Number:
1261231-26-8
Molecular Formula:
C9H14Cl2N4S
Molecular Weight:
281.2053
IUPAC Name:
4-chloro-2-methylsulfanyl-6-piperazin-1-ylpyrimidine;hydrochloride
InChI:
InChI=1S/C9H13ClN4S.ClH/c1-15-9-12-7(10)6-8(13-9)14-4-2-11-3-5-14;/h6,11H,2-5H2,1H3;1H
InChI Key:
AARBAGOOUPPFLL-UHFFFAOYSA-N
SMILES:
CSc1nc(cc(n1)Cl)N1CCNCC1.Cl
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.032g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.199g/mol
Monoisotopic Mass:
280.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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