| CAS Number | 196199-56-1 |
| Catalog Number | AG019XG3(AGN-PC-0NBL2F) |
| Chemical Name | (1-benzylpiperidin-4-yl)thiourea |
| IUPAC Name | (1-benzylpiperidin-4-yl)thiourea |
| InChI | InChI=1S/C13H19N3S/c14-13(17)15-12-6-8-16(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H3,14,15,17) |
| InChI Key | XAKQWJCBJYLSBD-UHFFFAOYSA-N |
| MDL Number | MFCD10693875 |
| Molecular Formula | C13H19N3S |
| Molecular Weight | 249.3751 |
| SMILES | NC(NC1CCN(CC2=CC=CC=C2)CC1)=S |
| Synonyms | (1-benzylpiperidin-4-yl)thiourea,
196199-56-1,
AC1Q503N,
SCHEMBL3325622,
CTK0A0413,
DTXSID30445788,
XAKQWJCBJYLSBD-UHFFFAOYSA-N,
(1-benzyl-piperidin-4-yl)-thiourea,
ZINC34522821,
1-(1-Benzylpiperidin-4-yl)-thiourea,
AKOS005204361,
MCULE-2558940251,
NE39164,
EN300-54890,
Thiourea, [1-(phenylmethyl)-4-piperidinyl]-,
J-502847,
Z1171217425,
(1-benzyl-4-piperidyl)thiourea,
CID10848254,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.13g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.376g/mol |
| Monoisotopic Mass | 249.13g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 73.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number