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88723-92-6 | Guanidine, [4-[2-(ethylamino)-1H-imidazol-4-yl]-2-thiazolyl]-
CAS No: 88723-92-6 Catalog No: AG00453Q MDL No:
Product Description
Catalog Number:
AG00453Q
Chemical Name:
Guanidine, [4-[2-(ethylamino)-1H-imidazol-4-yl]-2-thiazolyl]-
CAS Number:
88723-92-6
Molecular Formula:
C9H13N7S
Molecular Weight:
251.3114
IUPAC Name:
2-[4-[2-(ethylamino)-1H-imidazol-5-yl]-1,3-thiazol-2-yl]guanidine
InChI:
InChI=1S/C9H13N7S/c1-2-12-8-13-3-5(14-8)6-4-17-9(15-6)16-7(10)11/h3-4H,2H2,1H3,(H2,12,13,14)(H4,10,11,15,16)
InChI Key:
ZHQHVBSEFQZNFD-UHFFFAOYSA-N
SMILES:
CCNc1[nH]cc(n1)c1csc(n1)NC(=N)N
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
251.312g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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