| CAS Number | 2740-98-9 |
| Catalog Number | AG019WXF(AGN-PC-0KE4B6) |
| Chemical Name | 3-Methyl-1-(naphthalen-1-yl)thiourea |
| IUPAC Name | 1-methyl-3-naphthalen-1-ylthiourea |
| InChI | InChI=1S/C12H12N2S/c1-13-12(15)14-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H2,13,14,15) |
| InChI Key | VNYCNEZSUHRXMT-UHFFFAOYSA-N |
| MDL Number | MFCD03760758 |
| Molecular Formula | C12H12N2S |
| Molecular Weight | 216.3021 |
| SMILES | CNC(NC1=C2C(C=CC=C2)=CC=C1)=S |
| Synonyms | 3-methyl-1-(naphthalen-1-yl)thiourea,
3-methyl-1-naphthalen-1-ylthiourea,
2740-98-9,
1-methyl-3-naphthalene-1-yl-thiourea,
AC1M4TS7,
AC1Q40RB,
SCHEMBL10393959,
CTK6I4542,
1-(1-Naphthyl)-3-methylthiourea,
ZINC2946611,
1-methyl-3-naphthalen-1-ylthiourea,
AKOS003659443,
MCULE-7765385345,
NE19334,
EN300-53434,
SR-01000241676,
SR-01000241676-1,
ZINC02946611,
CID2266887,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.302g/mol |
| Monoisotopic Mass | 216.072g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number