| CAS Number | 565181-84-2 |
| Catalog Number | AG019ICD |
| Chemical Name | [4-(butan-2-yl)phenyl]thiourea |
| IUPAC Name | (4-butan-2-ylphenyl)thiourea |
| InChI | InChI=1S/C11H16N2S/c1-3-8(2)9-4-6-10(7-5-9)13-11(12)14/h4-8H,3H2,1-2H3,(H3,12,13,14) |
| InChI Key | WTXSUXUHTUONPP-UHFFFAOYSA-N |
| MDL Number | MFCD03989645 |
| Molecular Formula | C11H16N2S |
| Molecular Weight | 208.3231 |
| SMILES | CCC(C1=CC=C(NC(N)=S)C=C1)C |
| Synonyms | [4-(butan-2-yl)phenyl]thiourea,
(4-sec-Butyl-phenyl)-thiourea,
565181-84-2,
AC1MZLAT,
AC1Q2S7O,
(4-butan-2-ylphenyl)thiourea,
CTK6C8121,
HMS1762H02,
AKOS005198757,
MCULE-9101269844,
NE47097,
SC-64667,
EN300-06328,
SR-01000044253,
SR-01000044253-1,
Z56923305,
ZINC03322185,
CID3849839,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.323g/mol |
| Monoisotopic Mass | 208.103g/mol |
| Rotatable Bond Count | 3 |
| 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