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1420967-67-4 | 2-(PYRROLIDIN-3-YLTHIO)-1H-BENZO[D]IMIDAZOLE HYDROCHLORIDE
CAS No: 1420967-67-4 Catalog No: AG01ASCP MDL No:MFCD24380708
Product Description
Catalog Number:
AG01ASCP
Chemical Name:
2-(PYRROLIDIN-3-YLTHIO)-1H-BENZO[D]IMIDAZOLE HYDROCHLORIDE
CAS Number:
1420967-67-4
Molecular Formula:
C11H14ClN3S
Molecular Weight:
255.7670
MDL Number:
MFCD24380708
IUPAC Name:
2-pyrrolidin-3-ylsulfanyl-1H-benzimidazole;hydrochloride
InChI:
InChI=1S/C11H13N3S.ClH/c1-2-4-10-9(3-1)13-11(14-10)15-8-5-6-12-7-8;/h1-4,8,12H,5-7H2,(H,13,14);1H
InChI Key:
SNBBCCNJWAHPOU-UHFFFAOYSA-N
SMILES:
C1NCC(C1)Sc1nc2c([nH]1)cccc2.Cl
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.06g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
255.764g/mol
Monoisotopic Mass:
255.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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