| CAS Number | 138764-18-8 |
| Catalog Number | AG00HVBN(AGN-PC-003366) |
| Chemical Name | 1-Oxo-2,3-dihydro-1H-indene-4-carbothioamide |
| IUPAC Name | 1-oxo-2,3-dihydroindene-4-carbothioamide |
| InChI | InChI=1S/C10H9NOS/c11-10(13)8-3-1-2-7-6(8)4-5-9(7)12/h1-3H,4-5H2,(H2,11,13) |
| InChI Key | ZIYOOACGYIHUKV-UHFFFAOYSA-N |
| MDL Number | MFCD20696475 |
| Molecular Formula | C10H9NOS |
| Molecular Weight | 191.2496 |
| SMILES | O=C1CCC=2C(=CC=CC12)C(N)=S |
| Synonyms | 1-OXO-2,3-DIHYDRO-1H-INDENE-4-CARBOTHIOAMIDE,
138764-18-8,
4-thiocarbamoylindan-1-one,
4-thiocarbamoyl-1-indanone,
1-Oxoindan-4-carbothioamide,
CHEMBL302808,
SCHEMBL6812230,
ZIYOOACGYIHUKV-UHFFFAOYSA-N,
MFCD20696475,
ZINC26272383,
AKOS030628389,
CS-0036731,
4-Thiocarbamoyl-2,3-dihydro-1H-inden-1-one,
1H-Indene-4-carbothioamide, 2,3-dihydro-1-oxo-,
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| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.248g/mol |
| Monoisotopic Mass | 191.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 75.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number