| CAS Number | 33436-90-7 |
| Catalog Number | AG01DHBV(AGN-PC-0JR7J0) |
| Chemical Name | 2-(Ethylthio)-9H-purin-6-amine |
| IUPAC Name | 2-ethylsulfanyl-7H-purin-6-amine |
| InChI | InChI=1S/C7H9N5S/c1-2-13-7-11-5(8)4-6(12-7)10-3-9-4/h3H,2H2,1H3,(H3,8,9,10,11,12) |
| InChI Key | OYUJKXQJBKRXFI-UHFFFAOYSA-N |
| MDL Number | MFCD20661932 |
| Molecular Formula | C7H9N5S |
| Molecular Weight | 195.2449 |
| NSC Number | 343000 |
| SMILES | CCSC1=NC(N)=C2N=CNC2=N1 |
| Synonyms | 2-(Ethylthio)-9H-purin-6-amine,
33436-90-7,
2-ethylsulfanyl-7H-purin-6-amine,
2-ethylthioadenine,
AC1N1ZN4,
SCHEMBL4408534,
DTXSID60398410,
OYUJKXQJBKRXFI-UHFFFAOYSA-N,
KS-00000U8Q,
ZINC1579624,
MFCD20661932,
NSC343000,
AKOS030631698,
NSC-343000,
AK683639,
DS-20080,
ACN-043811,
CID3989519,
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| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.244g/mol |
| Monoisotopic Mass | 195.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number