| CAS Number | 743452-25-7 |
| Catalog Number | AG019JCV |
| Chemical Name | 3-Amino-1-(3-methylbutyl)thiourea |
| IUPAC Name | 1-amino-3-(3-methylbutyl)thiourea |
| InChI | InChI=1S/C6H15N3S/c1-5(2)3-4-8-6(10)9-7/h5H,3-4,7H2,1-2H3,(H2,8,9,10) |
| InChI Key | FZKZGTUNZFEOMN-UHFFFAOYSA-N |
| MDL Number | MFCD05263749 |
| Molecular Formula | C6H15N3S |
| Molecular Weight | 161.2684 |
| SMILES | CC(CCNC(NN)=S)C |
| Synonyms | 3-amino-1-(3-methylbutyl)thiourea,
N-(3-methylbutyl)hydrazinecarbothioamide,
743452-25-7,
AC1Q1PFM,
AC1NP6M9,
SCHEMBL1965523,
CTK7F1373,
1-amino-3-(3-methylbutyl)thiourea,
ZINC3887651,
AKOS001058276,
MCULE-5255663258,
NE13043,
NCGC00342606-01,
EN300-09116,
AB01334840-02,
ZINC03887651,
CID5151427,
|
| Complexity | 103 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.267g/mol |
| Monoisotopic Mass | 161.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 82.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number