Home Other Building Blocks 2-(1H-1,3-benzodiazol-2-ylsulfanyl)pyridine-4-carboximidamide hydrochloride

2-(1H-1,3-benzodiazol-2-ylsulfanyl)pyridine-4-carboximidamide hydrochloride

CAS No.:
1221723-93-8
Catalog Number:
AG01A85L
Molecular Formula:
C13H12ClN5S
Molecular Weight:
305.7859
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Product Description
Catalog Number:
AG01A85L
Chemical Name:
2-(1H-1,3-benzodiazol-2-ylsulfanyl)pyridine-4-carboximidamide hydrochloride
CAS Number:
1221723-93-8
Molecular Formula:
C13H12ClN5S
Molecular Weight:
305.7859
MDL Number:
MFCD15209631
IUPAC Name:
2-(1H-benzimidazol-2-ylsulfanyl)pyridine-4-carboximidamide;hydrochloride
InChI:
InChI=1S/C13H11N5S.ClH/c14-12(15)8-5-6-16-11(7-8)19-13-17-9-3-1-2-4-10(9)18-13;/h1-7H,(H3,14,15)(H,17,18);1H
InChI Key:
KPWRXROBPCYAGC-UHFFFAOYSA-N
SMILES:
NC(=N)c1ccnc(c1)Sc1nc2c([nH]1)cccc2.Cl
Properties
Complexity:
337  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.05g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
305.784g/mol
Monoisotopic Mass:
305.05g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties