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86328-45-2 | Guanidine, (6-methoxy-2-benzothiazolyl)- (9CI)
CAS No: 86328-45-2 Catalog No: AG00H0Q6 MDL No:MFCD22374971
Product Description
Catalog Number:
AG00H0Q6
Chemical Name:
Guanidine, (6-methoxy-2-benzothiazolyl)- (9CI)
CAS Number:
86328-45-2
Molecular Formula:
C9H10N4OS
Molecular Weight:
222.2669
MDL Number:
MFCD22374971
IUPAC Name:
2-(6-methoxy-1,3-benzothiazol-2-yl)guanidine
InChI:
InChI=1S/C9H10N4OS/c1-14-5-2-3-6-7(4-5)15-9(12-6)13-8(10)11/h2-4H,1H3,(H4,10,11,12,13)
InChI Key:
JQHGAVRMSKHICJ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)sc(n2)NC(=N)N
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.266g/mol
Monoisotopic Mass:
222.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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