3-Methylthiophene-2-methanol - CAS 63826-56-2

Catalog:	BB032294
Product Name:	3-Methylthiophene-2-methanol
CAS:	63826-56-2
Synonyms:	(3-methyl-2-thiophenyl)methanol; (3-methylthiophen-2-yl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(3-methylthiophen-2-yl)methanol
Description:	3-Methylthiophene-2-methanol (CAS# 63826-56-2) is a useful research chemical.
Molecular Weight:	128.19
Molecular Formula:	C6H8OS
Canonical SMILES:	CC1=C(SC=C1)CO
InChI:	InChI=1S/C6H8OS/c1-5-2-3-8-6(5)4-7/h2-3,7H,4H2,1H3
InChI Key:	UAQJEIWAMCLVTE-UHFFFAOYSA-N
MDL:	MFCD06202625
LogP:	1.54880

Publication Number	Title	Priority Date
WO-2021191872-A1	Heteroaryl-substituted macrocyclic flu endonuclease inhibitors	20200326
CA-2888485-A1	Phenyl linked quinolinyl modulators of ror.gamma.t	20121016
CA-2877550-A1	Imidazopyridine derivatives as modulators of tnf activity	20120713
EP-2872508-A1	Imidazopyridine derivatives as modulators of tnf activity	20120713
WO-2014009295-A1	Imidazopyridine derivatives as modulators of tnf activity	20120713

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GHS Hazard Statement:	H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P264+P265, P280, P305+P354+P338, and P317
Signal Word:	Danger

Complexity:	74.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.02958605
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	128.02958605
Rotatable Bond Count:	1
Topological Polar Surface Area:	48.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1