| CAS Number | 1095592-96-3 |
| Catalog Number | AG01AA4X(AGN-PC-0WO91Q) |
| Chemical Name | 3-amino-1-(cyclobutylmethyl)thiourea |
| IUPAC Name | 1-amino-3-(cyclobutylmethyl)thiourea |
| InChI | InChI=1S/C6H13N3S/c7-9-6(10)8-4-5-2-1-3-5/h5H,1-4,7H2,(H2,8,9,10) |
| InChI Key | RPGMICHMIHQXMV-UHFFFAOYSA-N |
| MDL Number | MFCD11635014 |
| Molecular Formula | C6H13N3S |
| Molecular Weight | 159.2525 |
| SMILES | NNC(NCC1CCC1)=S |
| Synonyms | 3-amino-1-(cyclobutylmethyl)thiourea,
1095592-96-3,
AC1Q550U,
ZINC37180908,
AKOS009437621,
NE48169,
EN300-67080,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.251g/mol |
| Monoisotopic Mass | 159.083g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 82.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number