| CAS Number | 874508-46-0 |
| Catalog Number | AG018MPO(AGN-PC-0WOTJZ) |
| Chemical Name | ([(2-Amino-1,3-thiazol-4-yl)methyl]thio)acetic acid |
| IUPAC Name | 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetic acid |
| InChI | InChI=1S/C6H8N2O2S2/c7-6-8-4(2-12-6)1-11-3-5(9)10/h2H,1,3H2,(H2,7,8)(H,9,10) |
| InChI Key | HJGCGBONOSWMAT-UHFFFAOYSA-N |
| MDL Number | MFCD11505447 |
| Molecular Formula | C6H8N2O2S2 |
| Molecular Weight | 204.2699 |
| SMILES | NC1SC=C(CSCC(O)=O)N=1 |
| Synonyms | 874508-46-0,
2-{[(2-amino-1,3-thiazol-4-yl)methyl]sulfanyl}acetic acid,
{[(2-amino-1,3-thiazol-4-yl)methyl]thio}acetic acid,
{[(2-amino-1,3-thiazol-4-yl)methyl]sulfanyl}acetic acid,
AC1Q52QO,
CTK7E0728,
DTXSID50653409,
ZINC31772039,
AKOS015958313,
MCULE-5470159458,
NE15159,
EN300-39463,
AB00996668-01,
F2158-0657,
Z398513496,
2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetic acid,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.262g/mol |
| Monoisotopic Mass | 204.003g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 130A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number