| CAS Number | 59814-98-1 |
| Catalog Number | AG01AA8S(AGN-PC-0KLGNI) |
| Chemical Name | 1-[(furan-2-yl)methyl]-3-methylthiourea |
| IUPAC Name | 1-(furan-2-ylmethyl)-3-methylthiourea |
| InChI | InChI=1S/C7H10N2OS/c1-8-7(11)9-5-6-3-2-4-10-6/h2-4H,5H2,1H3,(H2,8,9,11) |
| InChI Key | BQCZYDJTDCKDBL-UHFFFAOYSA-N |
| MDL Number | MFCD01570209 |
| Molecular Formula | C7H10N2OS |
| Molecular Weight | 170.2321 |
| SMILES | CNC(NCC1OC=CC=1)=S |
| Synonyms | 1-(furan-2-ylmethyl)-3-methylthiourea,
59814-98-1,
AC1MDBTQ,
Maybridge4_001010,
AC1Q40RF,
SCHEMBL11597341,
BQCZYDJTDCKDBL-UHFFFAOYSA-N,
HMS1523N20,
ZINC116450,
1-(2-furylmethyl)-3-methylthiourea,
AKOS003719826,
MCULE-7571062094,
NE24700,
IDI1_031592,
ST51030409,
EN300-67486,
[(2-furylmethyl)amino](methylamino)methane-1-thione,
ZINC00116450,
CID2808837,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.23g/mol |
| Monoisotopic Mass | 170.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number