4-(Methylthio)benzyl alcohol - CAS 3446-90-0

Catalog:	BB022150
Product Name:	4-(Methylthio)benzyl alcohol
CAS:	3446-90-0
Synonyms:	(4-methylsulfanylphenyl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(4-methylsulfanylphenyl)methanol
Description:	4-(Methylthio)benzyl alcohol (CAS# 3446-90-0) is used to prepare (4-substituted benzyl)(trifluoromethyl)pyrazoles and -pyrazolones as potent antihyperglycemic agents.
Molecular Weight:	154.23
Molecular Formula:	C8H10OS
Canonical SMILES:	CSC1=CC=C(C=C1)CO
InChI:	InChI=1S/C8H10OS/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3
InChI Key:	MTXQKSQYMREAGJ-UHFFFAOYSA-N
Boiling Point:	108-109 °C (0.4 mmHg)
Density:	1.15 g/cm³
MDL:	MFCD00009706
LogP:	1.90080

Publication Number	Title	Priority Date
CN-111807971-A	Alkylation synthesis method for in-situ catalysis of alcohols	20200709
US-2021174983-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204
WO-2021112933-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204
WO-2021007435-A1	Peptide conjugates of cytotoxins as therapeutics	20190710
TW-202102473-A	Heterocyclyl (phenyl) methanol compounds useful in the treatment of hyperglycaemia	20190320

PMID	Publication Date	Title	Journal
16853232	20050922	Exclusion of aromatic radical cations from cyclodextrin nanocavity studied by pulse radiolysis	The journal of physical chemistry. B

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Related Functional Groups

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[518012-62-9]
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[2006276-82-8]
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[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[162894-76-0]
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	87.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.04523611
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	154.04523611
Rotatable Bond Count:	2
Topological Polar Surface Area:	45.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8