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88540-64-1 | Guanidine, [4-[3-[[(propylamino)methylene]amino]phenyl]-2-thiazolyl]-
CAS No: 88540-64-1 Catalog No: AG004E58 MDL No:
Product Description
Catalog Number:
AG004E58
Chemical Name:
Guanidine, [4-[3-[[(propylamino)methylene]amino]phenyl]-2-thiazolyl]-
CAS Number:
88540-64-1
Molecular Formula:
C14H18N6S
Molecular Weight:
302.3979
IUPAC Name:
N-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]-N'-propylmethanimidamide
InChI:
InChI=1S/C14H18N6S/c1-2-6-17-9-18-11-5-3-4-10(7-11)12-8-21-14(19-12)20-13(15)16/h3-5,7-9H,2,6H2,1H3,(H,17,18)(H4,15,16,19,20)
InChI Key:
BEZHIYFYRFOLNY-UHFFFAOYSA-N
SMILES:
CCCNC=Nc1cccc(c1)c1csc(n1)NC(=N)N
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.131g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
302.4g/mol
Monoisotopic Mass:
302.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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