| CAS Number | 3037-04-5 |
| Catalog Number | AG002ZW6(AGN-PC-0R5PLA) |
| Chemical Name | Ethanethiol, 2-amino-, 4-methylbenzenesulfonate (1:1) |
| IUPAC Name | 2-aminoethanethiol;4-methylbenzenesulfonic acid |
| InChI | InChI=1S/C7H8O3S.C2H7NS/c1-6-2-4-7(5-3-6)11(8,9)10;3-1-2-4/h2-5H,1H3,(H,8,9,10);4H,1-3H2 |
| InChI Key | MWESMYJLFQVSSO-UHFFFAOYSA-N |
| MDL Number | MFCD00060252 |
| Molecular Formula | C9H15NO3S2 |
| Molecular Weight | 249.3503 |
| SMILES | NCCS.CC1=CC=C(S(O)(=O)=O)C=C1 |
| Synonyms | 2-Aminoethanethiol p-Toluenesulfonate,
3037-04-5,
ACMC-2097ck,
Cysteamine p-Toluenesulfonate,
SCHEMBL714691,
CTK8A8937,
2-Aminoethanethiol p-toluenosulfonate,
ANW-13794,
MFCD00060252,
2-Mercaptoethylamine p-Toluenesulfonate,
2-aminoethanethiol 4-methylbenzenesulfonate,
TC-102539,
A0946,
C-44795,
2-AMINOETHANETHIOLP-TOLUENESULFONATE,
2-aminoethanethiol;4-methylbenzenesulfonic acid,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.343g/mol |
| Monoisotopic Mass | 249.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 89.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number