1-benzothiophen-5-ylmethanol - CAS 20532-34-7

Catalog:	BB016050
Product Name:	1-benzothiophen-5-ylmethanol
CAS:	20532-34-7
Synonyms:	1-benzothiophen-5-ylmethanol; 1-benzothiophen-5-ylmethanol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-benzothiophen-5-ylmethanol
Description:	1-benzothiophen-5-ylmethanol (CAS# 20532-34-7) is a useful research chemical.
Molecular Weight:	164.222
Molecular Formula:	C9H8OS
Canonical SMILES:	C1=CC2=C(C=CS2)C=C1CO
InChI:	InChI=1S/C9H8OS/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,10H,6H2
InChI Key:	JSYSQUAJOCDMJW-UHFFFAOYSA-N
Boiling Point:	324 °C at 760 mmHg
Density:	1.294 g/cm³
Appearance:	Solid
MDL:	MFCD04972640
LogP:	2.39360

Publication Number	Title	Priority Date
US-2020308163-A1	Compounds and compositions as modulators of tlr signaling	20190326
TW-201925211-A	Method for preparing benzothiophen-2-ylborate	20171025
JP-2020524132-A	Compositions and methods for treating Alzheimer's disease	20170605
WO-2018055641-A1	Oral modified release formulations	20160920
US-10106553-B2	Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes	20160411

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Related Functional Groups

Benzofuran/Benzothiophene

[328270-02-6]
2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
[1450835-21-8]
(6-Chlorobenzo[b]thiophen-2-yl)boronic acid
[335671-77-7]
7-Bromo-2,3-dihydrobenzofuran-5-carboxylic acid
[4506-71-2]
Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
[7311-95-7]
Ethyl-2-amino-benzo(b)thiophene-3-carboxylate
[28418-88-4]
3-Iodophthalic anhydride

GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264+P265, P280, P305+P351+P338, and P337+P317
Signal Word:	Warning

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.02958605
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	164.02958605
Rotatable Bond Count:	1
Topological Polar Surface Area:	48.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1