| CAS Number | 747411-48-9 |
| Catalog Number | AG019JIV |
| Chemical Name | (6-methylheptan-2-yl)thiourea |
| IUPAC Name | 6-methylheptan-2-ylthiourea |
| InChI | InChI=1S/C9H20N2S/c1-7(2)5-4-6-8(3)11-9(10)12/h7-8H,4-6H2,1-3H3,(H3,10,11,12) |
| InChI Key | AUEXUZQBMAFOBJ-UHFFFAOYSA-N |
| MDL Number | MFCD05270912 |
| Molecular Formula | C9H20N2S |
| Molecular Weight | 188.3335 |
| SMILES | CC(CCCC(NC(N)=S)C)C |
| Synonyms | (6-methylheptan-2-yl)thiourea,
N-(1,5-dimethylhexyl)thiourea,
747411-48-9,
AC1MZ8GB,
AC1Q1PCP,
6-methylheptan-2-ylthiourea,
CTK6B0109,
AKOS008967673,
NE13056,
EN300-09563,
ZINC02641167,
CID3868600,
|
| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.135g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.333g/mol |
| Monoisotopic Mass | 188.135g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number