| CAS Number | 854654-68-5 |
| Catalog Number | AG01BVGT |
| Chemical Name | (pentan-3-yl)thiourea |
| IUPAC Name | pentan-3-ylthiourea |
| InChI | InChI=1S/C6H14N2S/c1-3-5(4-2)8-6(7)9/h5H,3-4H2,1-2H3,(H3,7,8,9) |
| InChI Key | XHYQVOGCMGVXLB-UHFFFAOYSA-N |
| MDL Number | MFCD10692845 |
| Molecular Formula | C6H14N2S |
| Molecular Weight | 146.2538 |
| SMILES | CCC(NC(N)=S)CC |
| Synonyms | (pentan-3-yl)thiourea,
854654-68-5,
SCHEMBL10905874,
ZINC34971890,
|
| Complexity | 89.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.252g/mol |
| Monoisotopic Mass | 146.088g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number