| CAS Number | 202584-22-3 |
| Catalog Number | AG0028BJ(AGN-PC-02KYBB) |
| Chemical Name | 6-(Methylthio)-1H-indole |
| IUPAC Name | 6-methylsulfanyl-1H-indole |
| InChI | InChI=1S/C9H9NS/c1-11-8-3-2-7-4-5-10-9(7)6-8/h2-6,10H,1H3 |
| InChI Key | XBTHQAKYJGTLRT-UHFFFAOYSA-N |
| MDL Number | MFCD20258845 |
| Molecular Formula | C9H9NS |
| Molecular Weight | 163.2395 |
| SMILES | CSC1=CC2=C(C=CN2)C=C1 |
| Synonyms | 6-(methylthio)-1H-Indole,
202584-22-3,
1H-Indole, 6-(methylthio)-,
6-(Methylsulfanyl)-1H-indole,
6-methylsulfanyl-1H-indole,
6-Methylthioindole,
SCHEMBL2642818,
CTK0J0655,
DTXSID80600582,
XBTHQAKYJGTLRT-UHFFFAOYSA-N,
MFCD20258845,
ZINC37625334,
AS-48016,
DA-08468,
FT-0769488,
L-1629,
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| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.238g/mol |
| Monoisotopic Mass | 163.046g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number