3,5-Dimethylbenzenethiol - CAS 38360-81-5

Catalog:	BB023644
Product Name:	3,5-Dimethylbenzenethiol
CAS:	38360-81-5
Synonyms:	3,5-dimethylbenzenethiol

Technical Data

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Patents

Computed Properties

IUPAC Name:	3,5-dimethylbenzenethiol
Description:	3,5-Dimethylbenzenethiol (CAS# 38360-81-5) is a useful research chemical.
Molecular Weight:	138.23
Molecular Formula:	C8H10S
Canonical SMILES:	CC1=CC(=CC(=C1)S)C
InChI:	InChI=1S/C8H10S/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3
InChI Key:	CESBAYSBPMVAEI-UHFFFAOYSA-N
Boiling Point:	216.1 °C at 760 mmHg
Purity:	95 %
Density:	1.027 g/cm³
Appearance:	Clear yellow liquid
MDL:	MFCD00040226
LogP:	2.59210

Publication Number	Title	Priority Date
CN-112898193-A	Indole aryl sulfone derivative and preparation method and application thereof	20210123
CN-111969249-A	Lithium-sulfur battery electrolyte containing negative electrode protection additive	20200730
CN-111303150-A	High-efficiency narrow-half-peak-width aggregation state luminescent material	20200304
CN-111303150-B	High-efficiency narrow-half-peak-width aggregation state luminescent material	20200304
WO-2021166741-A1	Resist pattern formation method	20200221

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GHS Hazard Statement:	H302 (97.78%): 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, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, 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:	0
Topological Polar Surface Area:	1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9