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95853-51-3 | Guanidine, [4-(mercaptomethyl)-2-thiazolyl]-
CAS No: 95853-51-3 Catalog No: AG006ARM MDL No:
Product Description
Catalog Number:
AG006ARM
Chemical Name:
Guanidine, [4-(mercaptomethyl)-2-thiazolyl]-
CAS Number:
95853-51-3
Molecular Formula:
C5H8N4S2
Molecular Weight:
188.2738
IUPAC Name:
2-[4-(sulfanylmethyl)-1,3-thiazol-2-yl]guanidine
InChI:
InChI=1S/C5H8N4S2/c6-4(7)9-5-8-3(1-10)2-11-5/h2,10H,1H2,(H4,6,7,8,9)
InChI Key:
AHNNULCXEIGUHA-UHFFFAOYSA-N
SMILES:
NC(=N)Nc1nc(cs1)CS
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.019g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
188.267g/mol
Monoisotopic Mass:
188.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| Solution-state NMR spectroscopy of famotidine revisited: spectral assignment, protonation sites, and their structural consequences. | Analytical and bioanalytical chemistry 20120201 |
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