2-Phenylethanethioamide

Basic Information

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CAS Number

645-54-5

Molecular Formula

C8H9NS

Molecular Weight

151.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

96.0 to 100.0 deg-C

Boiling Point

277.3±33.0 ºC (760 Torr),

Density

1.155±0.06 g/cm3 (20 ºC 760 Torr),

Water Solubility

Slightly Soluble in water (1.8 g/L) (25°C).

Flash Point

121.5±25.4 ºC,

SMILES

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C1=CC=C(C=C1)CC(=S)N

InChI

InChI=1S/C8H9NS/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)

InChIKey

CJXBHFANXQMZBF-UHFFFAOYSA-N

LogP

1.5152

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

116

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

2-Phenylethanethioamide #
SB76025
Phenylthioacetamide
2-phenyl-thioacetamide
Z56928578
LLS5738GKL
MFCD00022177
HMS1783C04
NSC52357
FT-0682822
Benzeneethanethioamide
2-Phenylthioacetamide
ACETAMIDE, 2-PHENYLTHIO
A858360
EN300-14208
AKOS000118343
alpha-phenylthioacetamide
Benzeneethanimidothioic acid
a-phenylthioacetamide
NSC-52357
CS-0206469
NSC235948
2-PHENYLETHANIMIDOTHIOIC ACID
Acetamide, 2-phenylthio-
SCHEMBL1397309
645-54-5
NSC-235948
2-Phenylethanethioamide
65680-26-4
DTXSID40983060
Phenylacetothioamide

MDL Number

MFCD00022177

Customs Code

2930909090

FAQ

What is 2-Phenylethanethioamide (CAS: 645-54-5)?

2-Phenylethanethioamide, also known as N-Phenylacetamide, is a chemical compound with the CAS number 645-54-5. It is an amide with a phenyl group attached to an acetic acid derivative, characterized by its aromatic and amide functional groups.

What are the main uses of 2-Phenylethanethioamide (CAS: 645-54-5)?

2-Phenylethanethioamide is primarily used in the pharmaceutical industry as an intermediate for the synthesis of other compounds. It is also utilized in the production of dyes and other organic chemicals, and as a reagent in organic synthesis.

Is 2-Phenylethanethioamide (CAS: 645-54-5) safe?

2-Phenylethanethioamide is generally considered safe under controlled conditions, but it requires proper handling. It is mildly irritating to the eyes and skin, and exposure should be minimized. Protective measures include wearing gloves, goggles, and appropriate lab clothing. It is not considered a significant environmental hazard.

How should 2-Phenylethanethioamide (CAS: 645-54-5) be stored?

2-Phenylethanethioamide should be stored in a cool, dry place away from direct sunlight and heat. It should be kept in a tightly sealed container to prevent moisture absorption. The storage temperature should be below 25°C (77°F) to maintain its stability and prevent degradation.