2,2,2-Trifluorothioacetamide - CAS 421-52-3

Catalog:	BB025064
Product Name:	2,2,2-Trifluorothioacetamide
CAS:	421-52-3
Synonyms:	2,2,2-trifluoroethanethioamide; 2,2,2-trifluoroethanethioamide

Technical Data

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Computed Properties

IUPAC Name:	2,2,2-trifluoroethanethioamide
Description:	2,2,2-Trifluorothioacetamide (CAS# 421-52-3) is a useful research chemical.
Molecular Weight:	129.10
Molecular Formula:	C2H2F3NS
Canonical SMILES:	C(=S)(C(F)(F)F)N
InChI:	InChI=1S/C2H2F3NS/c3-2(4,5)1(6)7/h(H2,6,7)
InChI Key:	VZBAIMIVLDKBTE-UHFFFAOYSA-N
Boiling Point:	104 °C at 760 mmHg
Density:	1.49 g/cm³
MDL:	MFCD02093844
LogP:	1.53510

Publication Number	Title	Priority Date
WO-2021205042-A1	Composition and method for inactivating a virus	20200410
US-2021115049-A1	Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (usp1) inhibitors	20181220
KR-20210105887-A	Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors	20181220
WO-2020020913-A1	Dissociation of biological samples	20180724
EP-3827241-A1	Dissociation of biological samples	20180724

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Related Functional Groups

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[15863-41-9]
4-(Methylthio)phenyl isothiocyanate

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GHS Hazard Statement:	H317 (90.48%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, and P501
Signal Word:	Warning

Complexity:	85.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.98600473
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	128.98600473
Rotatable Bond Count:	0
Topological Polar Surface Area:	58.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9