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Basic information
- CAS
30962-69-7- Standard SMILES
OCCc1cc2ccccc2s1- InChIKey
AMFBMJOMAZEXAO-UHFFFAOYSA-N- Molecular formula
- C10H10OS
- Average molar mass
- 178.25 g/mol
- Monoisotopic mass
- 178.04523611
Names & identifiers
- Preferred name
- Benzo(b)thiophene-2-ethanol
- IUPAC
- 2-(1-benzothiophen-2-yl)ethanol
- English name
- 2-BENZO[B]THIOPHEN-2-YL-ETHANOL
- Molecular formula
- C10H10OS
- Molecular weight
- 178.25
Names & synonyms
30962-69-7Benzo[b]thiophene-2-ethanolDTXSID10299741Benzo(b)thiophene-2-ethanolRefChem:326211DTXCID502508762-BENZO[B]THIOPHEN-2-YL-ETHANOL2-(Benzo[b]thiophen-2-yl)ethanol2-(1-benzothiophen-2-yl)ethan-1-ol2-(1-benzothiophen-2-yl)ethanolMFCD018509582-Benzo[b]thiopheneethanol
Show more names
RARECHEM AM UC 0201
NSC1324112-Benzo[b]-thiopheneethanolSCHEMBL6615462-(benzothiophen-2-yl)ethanolSCHEMBL6240752AMFBMJOMAZEXAO-UHFFFAOYSA-NAKOS006277966NSC-132411
Database identifiers
- CAS
30962-69-7- PubChem CID
- 280609
- DTXSID
DTXSID10299741- Nikkaji
- J1.591.376B
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 48.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Melting point
- 80.5 °C · 80.5 °C(Solv: benzene (71-43-2); ligroine (8032-32-4))
- Boiling point
- 171 · 171-186 °C(Press: 4.5-6 Torr)
- Density
- 1.243 · 1.243±0.06 g/cm3(Predicted)
- pka
- 14.68 · 14.68±0.10(Predicted)
Chemistry & industry
Suppliers9 total
T&W GROUP021-61551611 13296011611 · [email protected]
上海辅欣医药科技有限公司021-50872116 13391048226 · [email protected]
上海指月生物科技有限公司13918644899 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
上海索本生物科技有限公司13023173052 · [email protected]
山东优阜药业科技有限公司536-8266195 +8613953676784 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
7 records
Compound notes
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