| CAS Number | 90237-03-9 |
| Catalog Number | AG00GWGG(AGN-PC-0VQ8JD) |
| Chemical Name | 3-[2-(Diaminomethyleneamino)-1,3-thiazol-4-ylmethylsulphinyl]-N-sulphamoylpropanamidine |
| IUPAC Name | 3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfinyl]-N'-sulfamoylpropanimidamide |
| InChI | InChI=1S/C8H15N7O3S3/c9-6(15-21(12,17)18)1-2-20(16)4-5-3-19-8(13-5)14-7(10)11/h3H,1-2,4H2,(H2,9,15)(H2,12,17,18)(H4,10,11,13,14) |
| InChI Key | LAZSSGBZNCVJCB-UHFFFAOYSA-N |
| MDL Number | MFCD03788836 |
| Molecular Formula | C8H15N7O3S3 |
| Molecular Weight | 353.4448 |
| SMILES | O=S(CC=1N=C(SC1)NC(=N)N)CCC(=N)NS(=O)(=O)N |
| Synonyms | Famotidine sulfoxide,
3-[2-(DIAMINOMETHYLENEAMINO)-1,3-THIAZOL-4- YLMETHYLSULPHINYL]-N-SULPHAMOYLPROPANAMIDINE,
90237-03-9,
3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfinyl]-N'-sulfamoylpropanimidamide,
AC1NN82N,
SCHEMBL18335723,
CTK5G7570,
FT-0666378,
CID5063986,
CS-T-16886,
3-[2-(Diaminomethyleneamino)-1,3-thiazol-4-ylmethylsulphinyl]-N-sulphamoylpropanamidine,
3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfinyl]-N'-sulfamoyl-propanimidamide,
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| Complexity | 538 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 353.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 353.434g/mol |
| Monoisotopic Mass | 353.04g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 249A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | -2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number