| CAS Number | 106748-25-8 |
| Catalog Number | AG007BT9(AGN-PC-040LN7) |
| Chemical Name | 3-Carbamothioylbenzamide |
| IUPAC Name | 3-carbamothioylbenzamide |
| InChI | InChI=1S/C8H8N2OS/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4H,(H2,9,11)(H2,10,12) |
| InChI Key | AXBNWHYKWSFNQK-UHFFFAOYSA-N |
| MDL Number | MFCD09937067 |
| Molecular Formula | C8H8N2OS |
| Molecular Weight | 180.2269 |
| SMILES | NC(C1=CC(C(N)=S)=CC=C1)=O |
| Synonyms | 3-carbamothioylbenzamide,
106748-25-8,
Benzamide, 3-(aminothioxomethyl)-,
ACMC-20ey26,
AC1Q4ZA0,
SCHEMBL10457004,
CTK0D6899,
DTXSID10632457,
ZINC19474558,
AKOS000181542,
MCULE-8043552459,
NE14643,
EN300-40822,
Z1815149204,
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| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.225g/mol |
| Monoisotopic Mass | 180.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number