Benzo[b]thiophene-2-methanol - CAS 17890-56-1

Catalog:	BB013514
Product Name:	Benzo[b]thiophene-2-methanol
CAS:	17890-56-1
Synonyms:	1-benzothiophen-2-ylmethanol; 1-benzothiophen-2-ylmethanol

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QC Data

IUPAC Name:	1-benzothiophen-2-ylmethanol
Description:	Benzo[b]thiophene-2-methanol (CAS# 17890-56-1) is a useful research chemical.
Molecular Weight:	164.22
Molecular Formula:	C9H8OS
Canonical SMILES:	C1=CC=C2C(=C1)C=C(S2)CO
InChI:	InChI=1S/C9H8OS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5,10H,6H2
InChI Key:	SUHKSQTXXZQEBH-UHFFFAOYSA-N
Boiling Point:	324 °C / 760 mmHg
Density:	1.294 g/cm³
Storage:	Keep in dark place. Sealed in dry. Room temperature.
MDL:	MFCD02682004
LogP:	2.39360

Publication Number	Title	Priority Date
CN-111548269-A	Preparation method of diarylmethane structure compound	20200429
WO-2020072580-A1	Matriptase 2 inhibitors and uses thereof	20181002
EP-3860636-A1	Matriptase 2 inhibitors and uses thereof	20181002
CN-108276396-A	A method of synthesis ipragliflozin	20180211
WO-2019146773-A1	Thiophene derivative and use thereof	20180125

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GHS Hazard Statement:	H315 (15.56%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1