Basic information
- Standard SMILES
CNCc1cc2ccccc2s1- InChIKey
FKHVKIIMXLUFHI-UHFFFAOYSA-N- Molecular formula
- C10H11NS
- Average molar mass
- 177.27 g/mol
- Monoisotopic mass
- 177.06122053
Names & identifiers
- Preferred name
- 1-(Benzo[b]thiophen-2-yl)-N-methylmethanamine
- IUPAC
- 1-(1-benzothiophen-2-yl)-N-methylmethanamine
- English name
- (1-benzothien-2-ylmethyl)methylamine(SALTDATA: HCl)
- Molecular formula
- C10H11NS
- Molecular weight
- 177.27
Names & synonyms
335032-47-81-(Benzo[b]thiophen-2-yl)-N-methylmethanamine1-(1-benzothiophen-2-yl)-N-methylmethanamine[(1-benzothiophen-2-yl)methyl](methyl)amine(1-BENZOTHIEN-2-YLMETHYL)METHYLAMINECHEMBL33581952-(Methylaminomethyl)benzothiopheneMFCD033060231-(1-benzothien-2-yl)-N-methylmethanamine hydrochlorideTimTec1_002560Oprea1_368216Oprea1_633790
Show more names
N-(1-Benzothien-2-ylmethyl)-N-methylamineBenzo[b]thiophene-2-methanamine, N-methyl-(1-benzothien-2-ylmethyl)methylamine(SALTDATA: HCl)
SCHEMBL1254283DTXSID20351182FKHVKIIMXLUFHI-UHFFFAOYSA-NALBB-015188BDBM50037773STK0459381-benzothien-2-yl-N-methylmethanamineAKOS000530132
Database identifiers
- CAS
335032-47-8- PubChem CID
- 693141
- DTXSID
DTXSID20351182- ChEMBL
CHEMBL3358195
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 40.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Boiling point
- 287.4 · 287.4±15.0 °C(Predicted)
- Density
- 1.146 · 1.146±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 9.2 · 9.20±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
上海林栎生物科技有限公司13761635123 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
7 records
Linked notes
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