Basic information
- CAS
27632-21-9- Standard SMILES
c1sc(NC2=NCCO2)c2c1CCCC2- InChIKey
SHHCRZDGVXPDFM-UHFFFAOYSA-N- Molecular formula
- C11H14N2OS
- Average molar mass
- 222.31 g/mol
- Monoisotopic mass
- 222.08268425
Names & identifiers
- Preferred name
- Benzo(c)thiophene, 4,5,6,7-tetrahydro-1-(2-oxazolinyl)amino-
- IUPAC
- N-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine
Names & synonyms
BENZO(c)THIOPHENE, 4,5,6,7-TETRAHYDRO-1-(2-OXAZOLINYL)AMINO-27632-21-91-(2-Amino-2-oxazoline)-3,4,5,6-tetrahydro-2-benzothiopheneDTXSID20182014RefChem:326322DTXCID30104505N-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-4,5-dihydro-1,3-oxazol-2-amineNSC664321CHEMBL1990795NSC-664321NCI60_022188N-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-4,5-dihydrooxazol-2-amine
Show more names
N-(4,5,6,7-Tetrahydro-2-benzothien-1-yl)-4,5-dihydro-1,3-oxazol-2-amineN-(4,5-Dihydro-1,3-oxazol-2-yl)-N-(4,5,6,7-tetrahydro-2-benzothien-1-yl)amine
Database identifiers
- CAS
27632-21-9- PubChem CID
- 33973
- DTXSID
DTXSID20182014- ChEMBL
CHEMBL1990795- Nikkaji
- J67.799J
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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