| CAS Number | 656222-54-7 |
| Catalog Number | AG01C5LX |
| Chemical Name | 2-Cyano-N-{[(3,4-Dichlorophenyl)Carbamothioyl]Amino}Acetamide |
| IUPAC Name | 1-[(2-cyanoacetyl)amino]-3-(3,4-dichlorophenyl)thiourea |
| InChI | InChI=1S/C10H8Cl2N4OS/c11-7-2-1-6(5-8(7)12)14-10(18)16-15-9(17)3-4-13/h1-2,5H,3H2,(H,15,17)(H2,14,16,18) |
| InChI Key | XKQJVBSDCOCZFV-UHFFFAOYSA-N |
| MDL Number | MFCD00119122 |
| Molecular Formula | C10H8Cl2N4OS |
| Molecular Weight | 303.1677 |
| SMILES | C(#N)CC(=O)NNC(NC1=CC(=C(C=C1)Cl)Cl)=S |
| Synonyms | 656222-54-7,
2-CYANO-N-{[(3,4-DICHLOROPHENYL)CARBAMOTHIOYL]AMINO}ACETAMIDE,
iKIX1,
Bio2B6,
CDS1_000545,
Maybridge1_002833,
AC1MD08W,
DivK1c_001585,
SCHEMBL19260918,
HMS549I17,
ZINC3161854,
iKIX1, >=98% (HPLC),
CCG-243670,
MCULE-5751224722,
1-[(2-cyanoacetyl)amino]-3-(3,4-dichlorophenyl)thiourea,
CID2803648,
|
| Complexity | 370 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.161g/mol |
| Monoisotopic Mass | 301.98g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number