4-Mercaptobenzyl Alcohol - CAS 53339-53-0

Catalog:	BB028158
Product Name:	4-Mercaptobenzyl Alcohol
CAS:	53339-53-0
Synonyms:	(4-mercaptophenyl)methanol; (4-sulfanylphenyl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(4-sulfanylphenyl)methanol
Description:	4-Mercaptobenzyl Alcohol (CAS# 53339-53-0) is a compound useful in organic synthesis.
Molecular Weight:	140.20
Molecular Formula:	C7H8OS
Canonical SMILES:	C1=CC(=CC=C1CO)S
InChI:	InChI=1S/C7H8OS/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2
InChI Key:	XBKHQENGCLDART-UHFFFAOYSA-N
Boiling Point:	277.7 °C at 760 mmHg
Density:	1.21 g/cm³
LogP:	1.46760

Publication Number	Title	Priority Date
CN-113248436-A	Novel cross-linked molecule for protein targeted transportation and preparation method and application thereof	20210413
CN-111621020-A	Giant surfactant and preparation method thereof	20200509
CN-111621019-A	Giant molecule and preparation method thereof	20200509
CN-111621020-B	Giant surfactant and preparation method thereof	20200509
WO-2021166741-A1	Resist pattern formation method	20200221

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	77
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.02958605
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	140.02958605
Rotatable Bond Count:	1
Topological Polar Surface Area:	21.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5