| CAS Number | 1017031-17-2 |
| Catalog Number | AG019WJT |
| Chemical Name | 2-(propan-2-yloxy)benzene-1-carbothioamide |
| IUPAC Name | 2-propan-2-yloxybenzenecarbothioamide |
| InChI | InChI=1S/C10H13NOS/c1-7(2)12-9-6-4-3-5-8(9)10(11)13/h3-7H,1-2H3,(H2,11,13) |
| InChI Key | QFVSGYWXUZTOSW-UHFFFAOYSA-N |
| MDL Number | MFCD06761746 |
| Molecular Formula | C10H13NOS |
| Molecular Weight | 195.2813 |
| SMILES | CC(OC1=C(C(N)=S)C=CC=C1)C |
| Synonyms | 2-(propan-2-yloxy)benzene-1-carbothioamide,
1017031-17-2,
AC1Q1QLT,
CTK6B0925,
ZINC5067467,
AKOS000195474,
MCULE-2752359685,
NE30245,
EN300-52194,
|
| Complexity | 182 |
| 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 | 3 |
| Topological Polar Surface Area | 67.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number