| CAS Number | 63931-22-6 |
| Catalog Number | AG00EKDA(AGN-PC-0NISDC) |
| Chemical Name | 5-Bromo-6-chloro-2-(methylthio)pyrimidin-4-amine |
| IUPAC Name | 5-bromo-6-chloro-2-methylsulfanylpyrimidin-4-amine |
| InChI | InChI=1S/C5H5BrClN3S/c1-11-5-9-3(7)2(6)4(8)10-5/h1H3,(H2,8,9,10) |
| InChI Key | OEEBWZSZLZXUBI-UHFFFAOYSA-N |
| MDL Number | MFCD16988271 |
| Molecular Formula | C5H5BrClN3S |
| Molecular Weight | 254.5353 |
| SMILES | CSC1=NC(Cl)=C(Br)C(N)=N1 |
| Synonyms | 5-Bromo-6-chloro-2-(methylthio)pyrimidin-4-amine,
63931-22-6,
5-Bromo-6-chloro-2-(methylsulfanyl)pyrimidin-4-amine,
5-bromo-6-chloro-2-methylsulfanyl-pyrimidin-4-ylamine,
C5H5BrClN3S,
SCHEMBL15904101,
CTK8B9692,
DTXSID10494739,
OEEBWZSZLZXUBI-UHFFFAOYSA-N,
9795AB,
ANW-62900,
ZINC82048809,
AJ-124863,
TC-151645,
4-amino-5-bromo-6-chloro-2-methylthiopyrimidine,
5-Bromo-6-chloro-2-(methylthio)-4-pyrimidinamine,
5-bromo-6-chloro-2-(methylthio)pyrimidine-4-amine,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.908g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.53g/mol |
| Monoisotopic Mass | 252.908g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 77.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
|
|
UN Code
|
|
Certificate of Analysis
Lot Number