| CAS Number | 173996-69-5 |
| Catalog Number | AG019SYW(AGN-PC-0WO7RS) |
| Chemical Name | 2-Isothiocyanato-1,2,3,4-tetrahydronaphthalene |
| IUPAC Name | 2-isothiocyanato-1,2,3,4-tetrahydronaphthalene |
| InChI | InChI=1S/C11H11NS/c13-8-12-11-6-5-9-3-1-2-4-10(9)7-11/h1-4,11H,5-7H2 |
| InChI Key | CPDCVJRPTNSVTC-UHFFFAOYSA-N |
| MDL Number | MFCD16705315 |
| Molecular Formula | C11H11NS |
| Molecular Weight | 189.2767 |
| SMILES | S=C=NC1CC2=C(C=CC=C2)CC1 |
| Synonyms | 2-isothiocyanato-1,2,3,4-tetrahydronaphthalene,
173996-69-5,
2-isothiocyano-1,2,3,4-tetrahydronaphthalene,
SCHEMBL6953544,
CPDCVJRPTNSVTC-UHFFFAOYSA-N,
AKOS011589809,
NE30176,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.276g/mol |
| Monoisotopic Mass | 189.061g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number