| CAS Number | 1092300-87-2 |
| Catalog Number | AG01A7QF(AGN-PC-0WOCOL) |
| Chemical Name | 1-amino-3-(2,2,2-trifluoroethyl)thiourea |
| IUPAC Name | 1-amino-3-(2,2,2-trifluoroethyl)thiourea |
| InChI | InChI=1S/C3H6F3N3S/c4-3(5,6)1-8-2(10)9-7/h1,7H2,(H2,8,9,10) |
| InChI Key | PNDLMDHLOFBFTI-UHFFFAOYSA-N |
| MDL Number | MFCD10689812 |
| Molecular Formula | C3H6F3N3S |
| Molecular Weight | 173.1600 |
| SMILES | NNC(NCC(F)(F)F)=S |
| Synonyms | 1-amino-3-(2,2,2-trifluoroethyl)thiourea,
3-amino-1-(2,2,2-trifluoroethyl)thiourea,
1092300-87-2,
AC1Q550O,
SCHEMBL12615004,
CTK7F1370,
PNDLMDHLOFBFTI-UHFFFAOYSA-N,
ZINC26515855,
AKOS009265080,
NE20880,
EN300-59538,
N-(2,2,2-trifluoroethyl)hydrazinecarbothioamide,
|
| Complexity | 123 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.157g/mol |
| Monoisotopic Mass | 173.023g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 82.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number