| CAS Number | 66892-30-6 |
| Catalog Number | AG006QAD(AGN-PC-0TMFDH) |
| Chemical Name | 1-(2-Methoxybenzyl)thiourea |
| IUPAC Name | (2-methoxyphenyl)methylthiourea |
| InChI | InChI=1S/C9H12N2OS/c1-12-8-5-3-2-4-7(8)6-11-9(10)13/h2-5H,6H2,1H3,(H3,10,11,13) |
| InChI Key | GSRPPAKIJBKMEY-UHFFFAOYSA-N |
| MDL Number | MFCD26395676 |
| Molecular Formula | C9H12N2OS |
| Molecular Weight | 196.2694 |
| SMILES | COC1=C(CNC(N)=S)C=CC=C1 |
| Synonyms | 66892-30-6,
(2-Methoxy-benzyl)-thiourea,
[(2-methoxyphenyl)methyl]thiourea,
Thiourea,N-[(2-methoxyphenyl)methyl]-,
1-(2-Methoxybenzyl)thiourea,
AC1M6XH8,
AC1Q45JD,
(2-methoxyphenyl)methylthiourea,
SCHEMBL5527432,
CTK5C5339,
DTXSID60368633,
ZINC3316281,
AKOS008966885,
MCULE-9590795817,
NE28490,
EN300-05647,
Z56907639,
-THIOUREA,
ZINC03316281,
CID2432026,
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| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.268g/mol |
| Monoisotopic Mass | 196.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 79.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number