| CAS Number | 479580-58-0 |
| Catalog Number | AG019LFP |
| Chemical Name | methyl 4-[(carbamimidoylsulfanyl)methyl]benzoate hydrobromide |
| IUPAC Name | methyl 4-(carbamimidoylsulfanylmethyl)benzoate;hydrobromide |
| InChI | InChI=1S/C10H12N2O2S.BrH/c1-14-9(13)8-4-2-7(3-5-8)6-15-10(11)12;/h2-5H,6H2,1H3,(H3,11,12);1H |
| InChI Key | VTHQEXFLCMZPBW-UHFFFAOYSA-N |
| MDL Number | MFCD02130300 |
| Molecular Formula | C10H13BrN2O2S |
| Molecular Weight | 305.1914 |
| SMILES | Br.COC(C1=CC=C(CSC(N)=N)C=C1)=O |
| Synonyms | 479580-58-0,
methyl 4-[(carbamimidoylsulfanyl)methyl]benzoate hydrobromide,
methyl 4-({[amino(imino)methyl]thio}methyl)benzoate hydrobromide,
EN300-31110,
methyl 4-((carbamimidoylthio)methyl)benzoate hydrobromide,
AC1MCIKM,
AC1Q23GO,
CTK6I9983,
Methyl 4-(carbamimidoylsulfanylmethyl)benzoate Hydrobromide,
AKOS008017211,
MCULE-9636136349,
NE18757,
SR-01000009655,
SR-01000009655-1,
F0861-0058,
CID2770503,
methyl 4-(([amino(imino)methyl]thio)methyl)benzoate hydrobromide,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.988g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.19g/mol |
| Monoisotopic Mass | 303.988g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number