| CAS Number | 790232-27-8 |
| Catalog Number | AG019JGS |
| Chemical Name | 2-{[(Diethylcarbamoyl)methyl]sulfanyl}acetic acid |
| IUPAC Name | 2-[2-(diethylamino)-2-oxoethyl]sulfanylacetic acid |
| InChI | InChI=1S/C8H15NO3S/c1-3-9(4-2)7(10)5-13-6-8(11)12/h3-6H2,1-2H3,(H,11,12) |
| InChI Key | UKRHCWRIDHGXGJ-UHFFFAOYSA-N |
| MDL Number | MFCD06356480 |
| Molecular Formula | C8H15NO3S |
| Molecular Weight | 205.2746 |
| SMILES | CCN(C(CSCC(O)=O)=O)CC |
| Synonyms | 2-{[(diethylcarbamoyl)methyl]sulfanyl}acetic acid,
790232-27-8,
[2-Oxo-2-(diethylamino)ethylthio]acetic acid,
EN300-09403,
2-[2-(diethylamino)-2-oxoethyl]sulfanylacetic acid,
Z19691327,
CID2497542,
2-(diethylcarbamoylmethylsulfanyl)acetic Acid,
2-([(diethylcarbamoyl)methyl]sulfanyl)acetic acid,
{[2-(diethylamino)-2-oxoethyl]thio}acetic acid,
AC1M8ZCH,
AC1Q2YW3,
CTK6E6976,
ZINC3379380,
AKOS000264353,
MCULE-3943136164,
NE62599,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.272g/mol |
| Monoisotopic Mass | 205.077g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 82.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number