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Home > Thiazole > 1171038-67-7
1171038-67-7 | 2-(piperazin-1-ylmethyl)-1,3-benzothiazole dihydrochloride
CAS No: 1171038-67-7 Catalog No: AG019L6S MDL No:MFCD10599641
Product Description
Catalog Number:
AG019L6S
Chemical Name:
2-(piperazin-1-ylmethyl)-1,3-benzothiazole dihydrochloride
CAS Number:
1171038-67-7
Molecular Formula:
C12H17Cl2N3S
Molecular Weight:
306.2545
MDL Number:
MFCD10599641
IUPAC Name:
2-(piperazin-1-ylmethyl)-1,3-benzothiazole;dihydrochloride
InChI:
InChI=1S/C12H15N3S.2ClH/c1-2-4-11-10(3-1)14-12(16-11)9-15-7-5-13-6-8-15;;/h1-4,13H,5-9H2;2*1H
InChI Key:
SANHMEMTMIYEFM-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)Cc1nc2c(s1)cccc2.Cl.Cl
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.052g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
306.249g/mol
Monoisotopic Mass:
305.052g/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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