| CAS Number | 56584-63-5 |
| Catalog Number | AG01AHVY(AGN-PC-0SM0I0) |
| Chemical Name | 4-Aminopyrimidine-5-carbothioamide |
| IUPAC Name | 4-aminopyrimidine-5-carbothioamide |
| InChI | InChI=1S/C5H6N4S/c6-4-3(5(7)10)1-8-2-9-4/h1-2H,(H2,7,10)(H2,6,8,9) |
| InChI Key | BMSJDYHOPFRSFN-UHFFFAOYSA-N |
| MDL Number | MFCD00663195 |
| Molecular Formula | C5H6N4S |
| Molecular Weight | 154.1929 |
| NSC Number | 266176 |
| SMILES | NC(C1=C(N)N=CN=C1)=S |
| Synonyms | 4-aminopyrimidine-5-carbothioamide,
56584-63-5,
NSC266176,
AC1MCBR5,
Maybridge1_007713,
SCHEMBL11840694,
DTXSID90372369,
BMSJDYHOPFRSFN-UHFFFAOYSA-N,
4-amino-pyrimidine-5-carbothioamide,
ZINC5580303,
5-Pyrimidinecarbothioamide, 4-amino-,
AKOS015917127,
NE11204,
NSC-266176,
EN300-75963,
S03-0211,
CID2740316,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.191g/mol |
| Monoisotopic Mass | 154.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number