| CAS Number | 1071638-49-7 |
| Catalog Number | AG01A9ZL |
| Chemical Name | 3-Amino-1-(3-ethynylphenyl)thiourea |
| IUPAC Name | 1-amino-3-(3-ethynylphenyl)thiourea |
| InChI | InChI=1S/C9H9N3S/c1-2-7-4-3-5-8(6-7)11-9(13)12-10/h1,3-6H,10H2,(H2,11,12,13) |
| InChI Key | PUYJWGMSDCPRPZ-UHFFFAOYSA-N |
| MDL Number | MFCD16817510 |
| Molecular Formula | C9H9N3S |
| Molecular Weight | 191.2529 |
| SMILES | NNC(NC1=CC(C#C)=CC=C1)=S |
| Synonyms | 3-amino-1-(3-ethynylphenyl)thiourea,
1071638-49-7,
EN300-66632,
AC1Q550G,
FCH926011,
ZINC57218511,
AKOS006240735,
NE24175,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.252g/mol |
| Monoisotopic Mass | 191.052g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 82.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number