| CAS Number | 871909-81-8 |
| Catalog Number | AG00GUHB |
| Chemical Name | 3-(2-chloroacetyl)-1-[(thiophen-2-yl)methyl]urea |
| IUPAC Name | 2-chloro-N-(thiophen-2-ylmethylcarbamoyl)acetamide |
| InChI | InChI=1S/C8H9ClN2O2S/c9-4-7(12)11-8(13)10-5-6-2-1-3-14-6/h1-3H,4-5H2,(H2,10,11,12,13) |
| InChI Key | GFTJVDPPLMXOTB-UHFFFAOYSA-N |
| MDL Number | MFCD07366456 |
| Molecular Formula | C8H9ClN2O2S |
| Molecular Weight | 232.6873 |
| SMILES | O=C(NC(CCl)=O)NCC1=CC=CS1 |
| Synonyms | 2-chloro-N-{[(thien-2-ylmethyl)amino]carbonyl}acetamide,
871909-81-8,
3-(2-chloroacetyl)-1-(thiophen-2-ylmethyl)urea,
2-Chloro-N-((thiophen-2-ylmethyl)carbamoyl)acetamide,
2-CHLORO-N-[[(THIEN-2-YLMETHYL)AMINO]CARBONYL]ACETAMIDE,
AC1OFL5F,
AC1Q3TH9,
CTK6H5211,
ZINC4218719,
AKOS009038841,
MCULE-7755388029,
NE13641,
UPCMLD0ENAT5449380:001,
EN300-15029,
2-chloro-N-(thiophen-2-ylmethylcarbamoyl)acetamide,
J-509136,
ZINC04218719,
CID7131305,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.682g/mol |
| Monoisotopic Mass | 232.007g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 86.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number