| CAS Number | 1009529-97-8 |
| Catalog Number | AG019NWN |
| Chemical Name | 2-Ethanesulfonamido-4-(methylsulfanyl)butanoic acid |
| IUPAC Name | 2-(ethylsulfonylamino)-4-methylsulfanylbutanoic acid |
| InChI | InChI=1S/C7H15NO4S2/c1-3-14(11,12)8-6(7(9)10)4-5-13-2/h6,8H,3-5H2,1-2H3,(H,9,10) |
| InChI Key | MJTCKHBNYRVDBV-UHFFFAOYSA-N |
| MDL Number | MFCD06369254 |
| Molecular Formula | C7H15NO4S2 |
| Molecular Weight | 241.3283 |
| SMILES | CCS(NC(C(O)=O)CCSC)(=O)=O |
| Synonyms | 2-ethanesulfonamido-4-(methylsulfanyl)butanoic acid,
1009529-97-8,
2-[(ethylsulfonyl)amino]-4-(methylthio)butanoic acid,
AC1NLPLS,
AC1Q38DL,
CTK7B5836,
AKOS000264386,
AKOS017264840,
MCULE-8452195108,
NE45767,
NCGC00324825-01,
EN300-12012,
AB01320236-02,
SR-01000061102,
2-(ethylsulfonylamino)-4-methylsulfanylbutanoic acid,
SR-01000061102-1,
Z53825190,
CID4961765,
2-(ethylsulfonylamino)-4-methylsulfanyl-butanoic Acid,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.32g/mol |
| Monoisotopic Mass | 241.044g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number