| CAS Number | 53393-11-6 |
| Catalog Number | AG00DCSN(AGN-PC-0NJAZ6) |
| Chemical Name | N-benzyl-N-methylthiourea |
| IUPAC Name | 1-benzyl-1-methylthiourea |
| InChI | InChI=1S/C9H12N2S/c1-11(9(10)12)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,10,12) |
| InChI Key | VGECWZHYDMFANY-UHFFFAOYSA-N |
| MDL Number | MFCD09055276 |
| Molecular Formula | C9H12N2S |
| Molecular Weight | 180.2700 |
| SMILES | C(N)(=S)N(C)CC1C=CC=CC=1 |
| Synonyms | N-benzyl-N-methylthiourea,
53393-11-6,
1-benzyl-1-methylthiourea,
SCHEMBL6341789,
CTK4J7866,
DTXSID90501551,
MFCD09055276,
ZINC19089029,
AKOS000162432,
N-Benzyl-N-methylthiourea, AldrichCPR,
AJ-71102,
Y-5103,
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| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.269g/mol |
| Monoisotopic Mass | 180.072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.4A^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
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