| CAS Number | 54851-35-3 |
| Catalog Number | AG00DFYP(AGN-PC-0KRP7E) |
| Chemical Name | 5-Amino-6-chloropyrimidine-4-thiol |
| IUPAC Name | 5-amino-6-chloro-1H-pyrimidine-4-thione |
| InChI | InChI=1S/C4H4ClN3S/c5-3-2(6)4(9)8-1-7-3/h1H,6H2,(H,7,8,9) |
| InChI Key | VEHPZWYCFFRGFK-UHFFFAOYSA-N |
| MDL Number | MFCD09746187 |
| Molecular Formula | C4H4ClN3S |
| Molecular Weight | 161.6127 |
| NSC Number | 51098 |
| SMILES | NC1C(=S)NC=NC=1Cl |
| Synonyms | 5-Amino-6-chloropyrimidine-4-thiol,
54851-35-3,
4-chloro-5-amino-6-mercaptopyrimidine,
5-amino-6-chloro-1H-pyrimidine-4-thione,
NSC51098,
AC1MM5J2,
SCHEMBL1846011,
CTK5A2663,
DTXSID40390992,
VEHPZWYCFFRGFK-UHFFFAOYSA-N,
ZINC1682353,
NSC-51098,
AKOS005166835,
AKOS012321553,
QC-5615,
5-amino-6-chloropyrimidine-4(1H)-thione,
4(1H)-Pyrimidinethione,5-amino-6-chloro-,
FT-0698572,
CID3280686,
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| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.607g/mol |
| Monoisotopic Mass | 160.981g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 82.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number