| CAS Number | 1016738-12-7 |
| Catalog Number | AG019WVE |
| Chemical Name | 2-Propoxybenzene-1-carbothioamide |
| IUPAC Name | 2-propoxybenzenecarbothioamide |
| InChI | InChI=1S/C10H13NOS/c1-2-7-12-9-6-4-3-5-8(9)10(11)13/h3-6H,2,7H2,1H3,(H2,11,13) |
| InChI Key | DITYOJCXEQCHAF-UHFFFAOYSA-N |
| MDL Number | MFCD09929707 |
| Molecular Formula | C10H13NOS |
| Molecular Weight | 195.2813 |
| SMILES | CCCOC1=C(C(N)=S)C=CC=C1 |
| Synonyms | 2-propoxybenzene-1-carbothioamide,
1016738-12-7,
AC1Q2YB3,
SCHEMBL7900711,
CTK6E6209,
ZINC19427838,
AKOS000172676,
MCULE-7349568312,
NE14623,
EN300-53264,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.28g/mol |
| Monoisotopic Mass | 195.072g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number