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886497-71-8

886497-71-8 | N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]guanidine

CAS No: 886497-71-8 Catalog No: AG00JGFC MDL No:MFCD06739733

Product Description

Catalog Number:
AG00JGFC
Chemical Name:
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]guanidine
CAS Number:
886497-71-8
Molecular Formula:
C11H10N4O2S
Molecular Weight:
262.2877
MDL Number:
MFCD06739733
IUPAC Name:
2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]guanidine
InChI:
InChI=1S/C11H10N4O2S/c12-10(13)15-11-14-7(4-18-11)6-1-2-8-9(3-6)17-5-16-8/h1-4H,5H2,(H4,12,13,14,15)
InChI Key:
HPRPESCFUPUCRU-UHFFFAOYSA-N
SMILES:
NC(=N)Nc1scc(n1)c1ccc2c(c1)OCO2

Properties

Complexity:
337  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.052g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
262.287g/mol
Monoisotopic Mass:
262.052g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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