| CAS Number | 953807-00-6 |
| Catalog Number | AG019JCU |
| Chemical Name | 3-Amino-1-(2,3-dimethylcyclohexyl)thiourea |
| IUPAC Name | 1-amino-3-(2,3-dimethylcyclohexyl)thiourea |
| InChI | InChI=1S/C9H19N3S/c1-6-4-3-5-8(7(6)2)11-9(13)12-10/h6-8H,3-5,10H2,1-2H3,(H2,11,12,13) |
| InChI Key | CWRNCGLPEHAFHA-UHFFFAOYSA-N |
| MDL Number | MFCD04629621 |
| Molecular Formula | C9H19N3S |
| Molecular Weight | 201.3323 |
| SMILES | CC1C(C)C(NC(NN)=S)CCC1 |
| Synonyms | 3-amino-1-(2,3-dimethylcyclohexyl)thiourea,
N-(2,3-dimethylcyclohexyl)hydrazinecarbothioamide,
EN300-09115,
953807-00-6,
AC1Q2R0B,
AC1MP939,
SCHEMBL12858935,
CTK6B3639,
AKOS005198862,
BBV-200953,
FCH5233915,
NE26439,
1-amino-3-(2,3-dimethylcyclohexyl)thiourea,
ZINC03327442,
CID3407485,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.13g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.332g/mol |
| Monoisotopic Mass | 201.13g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 82.2A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number