Basic information
- CAS
13012-93-6- Standard SMILES
NCCc1csc2ccc(O)cc12- InChIKey
ONTWCYDBNXHETF-UHFFFAOYSA-N- Molecular formula
- C10H11NOS
- Average molar mass
- 193.27 g/mol
- Monoisotopic mass
- 193.05613515
Overview
3-(2-aminoethyl)-1-benzothiophen-5-ol is a member of 1-benzothiophenes.
Names & identifiers
- Preferred name
- Benzo(b)thiophen-5-ol, 3-(2-aminoethyl)-
- IUPAC
- 3-(2-aminoethyl)-1-benzothiophen-5-ol
- English name
- 3-(2-Aminoethyl)-1-benzothiophene-5-ol
- Molecular formula
- C10H11NOS
- Molecular weight
- 193.27
Names & synonyms
13012-93-6BRN 13099433-(2-Aminoethyl)benzo(b)thiophen-5-olBENZO(b)THIOPHEN-5-OL, 3-(2-AMINOETHYL)-DTXSID80156357RefChem:326181DTXCID30788483-(2-aminoethyl)-1-benzothiophen-5-ol3-(2-aminoethyl)-1-benzothiophene-5-olSCHEMBL8586692CHEBI:125664NAA01293
Show more names
Benzo[b]thiophene-5-ol, 3-(2-aminoethyl)-3-(β-Aminoethyl)-5-hydroxybenzo[b]thiophene
EN300-7465285BRD-K88575585-001-01-2Q27216274
Database identifiers
- CAS
13012-93-6- PubChem CID
- 25600
- DTXSID
DTXSID80156357- ChEBI
CHEBI:125664- Nikkaji
- J54.917G
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Boiling point
- 382.9 · 382.9±27.0 °C(Predicted)
- Density
- 1.306 · 1.306±0.06 g/cm3(Predicted)
- pka
- 9.14 · 9.14±0.40(Predicted)
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Additional notes
DefinitionChEBI: 3-(2-aminoethyl)-1-benzothiophen-5-ol is a member of 1-benzothiophenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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