2-Ethylbenzenethiol - CAS 4500-58-7

Catalog:	BB025747
Product Name:	2-Ethylbenzenethiol
CAS:	4500-58-7
Synonyms:	2-ethylbenzenethiol

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Computed Properties

IUPAC Name:	2-ethylbenzenethiol
Description:	2-Ethylbenzenethiol (CAS# 4500-58-7) is a useful research chemical.
Molecular Weight:	138.23
Molecular Formula:	C8H10S
Canonical SMILES:	CCC1=CC=CC=C1S
InChI:	InChI=1S/C8H10S/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3
InChI Key:	ABROBCBIIWHVNS-UHFFFAOYSA-N
Boiling Point:	203-205 ℃
Purity:	98 %
Density:	1.04 g/cm³
Appearance:	Clear light yellow liquid
Storage:	Keep away from heat, sparks, and flame. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00010022
LogP:	2.53770

Publication Number	Title	Priority Date
CN-113264816-A	Spiro [ cyclopropane-1, 2' -indene ] -1',3' -diketone derivative and synthetic method thereof	20210531
WO-2021111834-A1	Photosensitive resin composition, photosensitive resin coating, photosensitive dry film, pattern forming method, and light emitting element	20191203
WO-2021099468-A1	Electrodeposition coating material containing organic polyhydroxy-functional anticorrosion agents	20191122
WO-2021099469-A1	Electrodeposition coating material containing catechol derivatives as anticorrosion agents	20191122
WO-2021095760-A1	Aqueous coating composition, coated article, and method for forming multilayer coating film	20191113

PMID	Publication Date	Title	Journal
19519127	20090529	Plasmon dispersion of the Au(111) surface with and without self-assembled monolayers	Physical review letters

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GHS Hazard Statement:	H302 (97.25%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	80.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	138.05032149
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	138.05032149
Rotatable Bond Count:	1
Topological Polar Surface Area:	1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3