| CAS Number | 331779-96-5 |
| Catalog Number | AG00CII6(AGN-PC-0R8PF5) |
| Chemical Name | tert-Butyl (2-thioureidoethyl)carbamate |
| IUPAC Name | tert-butyl N-[2-(carbamothioylamino)ethyl]carbamate |
| InChI | InChI=1S/C8H17N3O2S/c1-8(2,3)13-7(12)11-5-4-10-6(9)14/h4-5H2,1-3H3,(H,11,12)(H3,9,10,14) |
| InChI Key | DOOZXVIPVZDJLE-UHFFFAOYSA-N |
| MDL Number | MFCD18968118 |
| Molecular Formula | C8H17N3O2S |
| Molecular Weight | 219.3045 |
| SMILES | N(C(=S)N)CCNC(OC(C)(C)C)=O |
| Synonyms | 331779-96-5,
CARBAMIC ACID, [2-[(AMINOTHIOXOMETHYL)AMINO]ETHYL]-, 1,1-DIMETHYLETHYL ESTER,
SCHEMBL1436068,
CTK8I2388,
DOOZXVIPVZDJLE-UHFFFAOYSA-N,
ZINC39094136,
AKOS016813136,
tert-Butyl (2-thioureidoethyl)carbamate,
N-(2-t-Butyloxycarbonylaminoethyl)thiourea,
(2-Thioureidoethyl)carbamic acid tert-butyl ester,
(2-thioureido-ethyl)-carbamic acid tert-butyl ester,
tert-butyl N-[2-(carbamothioylamino)ethyl]carbamate,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.303g/mol |
| Monoisotopic Mass | 219.104g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number