Basic information
- CAS
182120-98-5- Standard SMILES
CC(C)(C)OC(=O)NCc1nc(C(N)=S)co1- InChIKey
VKBGEKQODWOGHD-UHFFFAOYSA-N- Molecular formula
- C10H15N3O3S
- Average molar mass
- 257.31 g/mol
- Monoisotopic mass
- 257.08341252
Names & identifiers
- Preferred name
- Carbamic acid, [[4-(aminothioxomethyl)-2-oxazolyl]methyl]-, 1,1-dimethylethyl ester
- IUPAC
- tert-butyl N-[(4-carbamothioyl-1,3-oxazol-2-yl)methyl]carbamate
Names & synonyms
DTXSID301130289Carbamic acid, [[4-(aminothioxomethyl)-2-oxazolyl]methyl]-, 1,1-dimethylethyl ester182120-98-5tert-Butyl [(4-carbamothioyl-1,3-oxazol-2-yl)methyl]carbamate
Database identifiers
- CAS
182120-98-5- PubChem CID
- 11076095
- DTXSID
DTXSID301130289
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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