| CAS Number | 923695-17-4 |
| Catalog Number | AG00GUH0 |
| Chemical Name | 2-Chloro-N-methyl-N-[[4-(methylthio)phenyl]methyl]acetamide |
| IUPAC Name | 2-chloro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide |
| InChI | InChI=1S/C11H14ClNOS/c1-13(11(14)7-12)8-9-3-5-10(15-2)6-4-9/h3-6H,7-8H2,1-2H3 |
| InChI Key | FUPYLSPCVMCPQP-UHFFFAOYSA-N |
| MDL Number | MFCD08271731 |
| Molecular Formula | C11H14ClNOS |
| Molecular Weight | 243.7530 |
| SMILES | O=C(N(C)CC1=CC=C(SC)C=C1)CCl |
| Synonyms | 923695-17-4,
2-chloro-N-methyl-N-[4-(methylthio)benzyl]acetamide,
2-Chloro-N-methyl-N-(4-(methylthio)benzyl)acetamide,
2-chloro-N-methyl-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide,
AC1Q4GZK,
CTK6H4897,
ZINC8183737,
MFCD08271731,
AKOS009075924,
MCULE-1185367030,
NE24715,
EN300-22895,
J-509155,
2-CHLORO-N-METHYL-N-(4-METHYLSULFANYL-BENZYL)-ACETAMIDE,
ZINC08183737,
CID9317135,
2-chloro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide,
4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.749g/mol |
| Monoisotopic Mass | 243.048g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 45.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number