| CAS Number | 3979-00-8 |
| Catalog Number | AG007787(AGN-PC-0RKR61) |
| Chemical Name | 1-(2-Mercaptoethyl)guanidine sulfate |
| IUPAC Name | 2-(2-sulfanylethyl)guanidine;sulfuric acid |
| InChI | InChI=1S/2C3H9N3S.H2O4S/c2*4-3(5)6-1-2-7;1-5(2,3)4/h2*7H,1-2H2,(H4,4,5,6);(H2,1,2,3,4) |
| InChI Key | XJKZAAUVINNNNC-UHFFFAOYSA-N |
| MDL Number | MFCD03789572 |
| Molecular Formula | C3H11N3O4S2 |
| Molecular Weight | 217.2671 |
| SMILES | N/C(N([H])CCS)=N/[H].O=S(O)(O)=O |
| Synonyms | MEG (sulfate),
3979-00-8,
Mercaptoethylguanidine hemisulfate salt,
MEG hemisulfate salt,
(2-Mercaptoethyl)-guanidine sulfate,
2C3H9N3S.H2O4S,
CTK8G0771,
DTXSID50585231,
1070AH,
ACM3979008,
Mercaptoethylguanidine hemisulfate salt, >=98%,
Sulfuric acid--N''-(2-sulfanylethyl)guanidine (1/2),
-GUANIDINESULFATE,
MFCD03789572,
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| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 336.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 8 |
| Isotope Atom Count | 0 |
| Molecular Weight | 336.444g/mol |
| Monoisotopic Mass | 336.071g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 214A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number