Basic information
- CAS
20532-28-9- Standard SMILES
Nc1ccc2sccc2c1- InChIKey
ZUPYTANKWDPRDP-UHFFFAOYSA-N- Molecular formula
- C8H7NS
- Average molar mass
- 149.21 g/mol
- Monoisotopic mass
- 149.0299204
Names & identifiers
- Preferred name
- Benzo(b)thiophen-5-amine
- IUPAC
- 1-benzothiophen-5-amine
- English name
- 1-Benzothiophen-5-amine
- Molecular formula
- C8H7NS
- Molecular weight
- 149.21
Names & synonyms
Benzo[b]thiophen-5-amine20532-28-9DTXSID40302075Benzo(b)thiophen-5-amineRefChem:326179DTXCID302532091-benzothiophen-5-amine5-Aminobenzothiophene5-Aminobenzo[b]thiophenebenzothiophen-5-amineMFCD04115381Benzo[b]thiophen-5-ylamine
Show more names
IFLAB-BB F0817-00015-Aminothionaphthene5-Aminobenzothiophen5-Benzo[b]thiophenamine5-Aminebenzo[b]thiophene
F0817-0001NSC1483271-benzothiophen-5-ylamine5-amino-benzo[b]thiophenebenzo[b]thiophene-5-ylamineA1H0GSCHEMBL760406orb3029855
Database identifiers
- CAS
20532-28-9- PubChem CID
- 288032
- DTXSID
DTXSID40302075- ChEMBL
CHEMBL5185383- ChEBI
CHEBI:194610- Nikkaji
- J82.969B
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Melting point
- 72 °C · 72 °C
- Boiling point
- 313.1 · 313.1±15.0 °C(Predicted)
- Density
- 1.294 · 1.294±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- solid
- pka
- 4.1 · 4.10±0.10(Predicted)
- color
- Light brown to brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- Safety Statements
- 24 · 24/25
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety data
- hs_code
- 2934999090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers79 total
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
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Additional notes
DefinitionChEBI: 1-Benzothiophen-5-amine is a member of 1-benzothiophenes.
Related reactions
13 records
Compound notes
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