| CAS Number | 1006599-54-7 |
| Catalog Number | AG0002L9(AGN-PC-0WG36Z) |
| Chemical Name | 5-(2-(Methylthio)ethoxy)pyrimidin-2-amine |
| IUPAC Name | 5-(2-methylsulfanylethoxy)pyrimidin-2-amine |
| InChI | InChI=1S/C7H11N3OS/c1-12-3-2-11-6-4-9-7(8)10-5-6/h4-5H,2-3H2,1H3,(H2,8,9,10) |
| InChI Key | PZXBGPBKYUSLBG-UHFFFAOYSA-N |
| MDL Number | MFCD20694880 |
| Molecular Formula | C7H11N3OS |
| Molecular Weight | 185.2467 |
| SMILES | CSCCOC1=CN=C(N)N=C1 |
| Synonyms | 1006599-54-7,
5-(2-(Methylthio)ethoxy)pyrimidin-2-amine,
2-Pyrimidinamine, 5-[2-(methylthio)ethoxy]-,
2-AMINO-5-(2-(METHYLTHIO)ETHOXY)PYRIMIDINE,
5-[2-(methylthio)ethoxy]pyrimidin-2-amine,
SCHEMBL504280,
KS-00000TFH,
PZXBGPBKYUSLBG-UHFFFAOYSA-N,
MFCD20694880,
2-amino-5-(2-methylthioethoxy)pyrimidine,
AK202941,
DS-10312,
CS-0062045,
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| Complexity | 117 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.245g/mol |
| Monoisotopic Mass | 185.062g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 86.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number