Thioacetanilide - CAS 637-53-6

Catalog:	BB032261
Product Name:	Thioacetanilide
CAS:	637-53-6
Synonyms:	Ethanethioamide, N-phenyl-; Acetanilide, thio-; N-Phenylthioacetamide; NSC 36984

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

Related CAS:	22768-70-3 (Deleted CAS)
IUPAC Name:	N-phenylethanethioamide
Molecular Weight:	151.23
Molecular Formula:	C8H9NS
Canonical SMILES:	CC(=S)NC1=CC=CC=C1
InChI:	InChI=1S/C8H9NS/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)
InChI Key:	MWCGLTCRJJFXKR-UHFFFAOYSA-N
Boiling Point:	225.1±23.0°C at 760 mmHg
Melting Point:	76-79°C
Flash Point:	89.95°C
Purity:	≥95%
Density:	1.159±0.06 g/cm3
Solubility:	Soluble in DMSO
Appearance:	Brown powder
Storage:	Store at RT
MDL:	MFCD00004942
LogP:	2.51880
Refractive Index:	1.654

Publication Number	Title	Priority Date
US-2021060994-A1	Heat sensitive recording material with non-phenolic color developers	20190830
WO-2021041600-A2	Heat sensitive recording material with non-phenolic color developers	20190830
CN-110055057-B	Column [5] arene-based supramolecular polymer gel, and synthesis and application thereof	20190516
JP-2020099887-A	Oxygen reduction catalyst	20181225
KR-20210093919-A	Battery recycling by injection of hydrogen gas into the leachate	20181126

PMID	Publication Date	Title	Journal
22883027	20120915	Arylazolyl(azinyl)thioacetanilides. Part 10: design, synthesis and biological evaluation of novel substituted imidazopyridinylthioacetanilides as potent HIV-1 inhibitors	Bioorganic & medicinal chemistry
20658659	20100701	1,2,3-thiadiazole thioacetanilides. Part 2: Synthesis and biological evaluation of a new series of 2-{[4-(3,4-dichlorophenyl)-1,2,3-thiadiazol-5-yl]sulfanyl}acetanilides as HIV-1 inhibitors	Chemistry & biodiversity
19647440	20090901	1,2,3-Selenadiazole thioacetanilides: synthesis and anti-HIV activity evaluation	Bioorganic & medicinal chemistry
19643613	20090815	Synthesis and biological evaluation of imidazole thioacetanilides as novel non-nucleoside HIV-1 reverse transcriptase inhibitors	Bioorganic & medicinal chemistry
18824350	20081015	1,2,3-Thiadiazole thioacetanilides as a novel class of potent HIV-1 non-nucleoside reverse transcriptase inhibitors	Bioorganic & medicinal chemistry letters

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Related Functional Groups

Sulfur Compounds

[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[1778-09-2]
4'-(Methylthio)acetophenone
[15863-41-9]
4-(Methylthio)phenyl isothiocyanate
[1879-16-9]
4-Methoxythioanisole
[60-23-1]
Cysteamine
[843673-72-3]
(R)-4-(1-((tert-Butoxycarbonyl)amino)-2-hydroxyethyl)phenyl trifluoromethanesulfonate

GHS Hazard Statement:	H312 (97.44%): Harmful in contact with skin [Warning Acute toxicity, dermal]
Precautionary Statement:	P261, P271, P280, P302+P352, P304+P312, P304+P340, P312, P322, P363, and P501
Signal Word:	Warning

Complexity:	116
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	151.04557046
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	151.04557046
Rotatable Bond Count:	1
Topological Polar Surface Area:	44.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7