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Home > Thiazole > 1864073-93-7
1864073-93-7 | 4-Isopropyl-2-piperazin-1-yl-1,3-benzothiazole dihydrochloride
CAS No: 1864073-93-7 Catalog No: AG01AS3B MDL No:MFCD27937786
Product Description
Catalog Number:
AG01AS3B
Chemical Name:
4-Isopropyl-2-piperazin-1-yl-1,3-benzothiazole dihydrochloride
CAS Number:
1864073-93-7
Molecular Formula:
C14H21Cl2N3S
Molecular Weight:
334.3076
MDL Number:
MFCD27937786
IUPAC Name:
2-piperazin-1-yl-4-propan-2-yl-1,3-benzothiazole;dihydrochloride
InChI:
InChI=1S/C14H19N3S.2ClH/c1-10(2)11-4-3-5-12-13(11)16-14(18-12)17-8-6-15-7-9-17;;/h3-5,10,15H,6-9H2,1-2H3;2*1H
InChI Key:
RGTQPDAJXIUCOE-UHFFFAOYSA-N
SMILES:
CC(c1cccc2c1nc(s2)N1CCNCC1)C.Cl.Cl
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.083g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
334.303g/mol
Monoisotopic Mass:
333.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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