[1-(Sulfanylmethyl)cyclopropyl]acetic acid

Basic Information

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CAS Number

162515-68-6

Molecular Formula

C6H10O2S

Molecular Weight

146.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

43.0 to 47.0 deg-C

Boiling Point

290.1 ℃ at 760 mmHg

Density

0.9700

Flash Point

>110℃(230℉)(lit.)

Refractive Index

1.538

SMILES

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C1CC1(CC(=O)O)CS

InChI

InChI=1S/C6H10O2S/c7-5(8)3-6(4-9)1-2-6/h9H,1-4H2,(H,7,8)

InChIKey

VFAXPOVKNPTBTM-UHFFFAOYSA-N

LogP

1.1711

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

129

Safety Information

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Hazard Statement

H290 May be corrosive to metals
Corrosive to Metals

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 8 Class 8

Sensitiveness

Stench

Synonyms & References

English

AS-13402
NS00025308
SY017570
UNII-1X00T93WYX
2-cyano phenylacetonitrile
1-(Mercaptomethyl)-cyclopropane acetic acid
SCHEMBL625309
A3612
M2074
1X00T93WYX
T71880
J-507629
VFAXPOVKNPTBTM-UHFFFAOYSA-N
1-(Mercaptomethyl)cyclopropaneacetic Acid
Q27253004
1-(Mercaptomethyl)cyclopropaneacetic Acid (2-[1-(Sulfanylmethyl)cyclopropyl]acetic Acid)
FT-0602336
[1-(Mercaptomethyl)cyclopropyl]acetic acid
2-[1-(sulfanylmethyl)cyclopropyl]acetic Acid
EN300-91513
1-(Mercaptomethyl)cyclopropaneacetic Acid,
1-(Mercaptomethyl)cyclopropaneacetic Acid; [1-(Mercaptomethyl)cyclopropyl]acetic Acid
Z1205493686
2-[1-(Mercaptomethyl)cyclopropyl]acetic acid
EC 420-240-3
DTXSID00167384
2-(1-(mercaptomethyl)cyclopropyl)acetic acid
162515-68-6
AKOS006379354
2-(1-(mercaptomethyl)cyclopropyl)aceticacid
1-(Mercaptomethyl)cyclopropaneacetic acid, 97%

MDL Number

MFCD03411600

Customs Code

2930909090

FAQ

What is [1-(Sulfanylmethyl)cyclopropyl]acetic acid (CAS: 162515-68-6)?

[1-(Sulfanylmethyl)cyclopropyl]acetic acid (CAS: 162515-68-6) is a thiol-containing organic compound with the molecular formula C6H11NO2S. It features a cyclopropyl ring substituted with a sulfanylmethyl group connected to an acetic acid chain, making it a key intermediate in pharmaceutical and chemical synthesis applications. The compound is typically a solid at room temperature and exhibits reactivity due to its sulfur functionality.

What are the main uses of [1-(Sulfanylmethyl)cyclopropyl]acetic acid (CAS: 162515-68-6)?

[1-(Sulfanylmethyl)cyclopropyl]acetic acid (CAS: 162515-68-6) is primarily used in pharmaceutical research for developing drugs targeting specific biological pathways. It serves as an intermediate in the synthesis of sulfide derivatives and is also applied in organic chemistry for creating complex molecules. Additionally, it may find industrial use in polymer production and specialty chemical formulations.

Is [1-(Sulfanylmethyl)cyclopropyl]acetic acid (CAS: 162515-68-6) safe?

[1-(Sulfanylmethyl)cyclopropyl]acetic acid (CAS: 162515-68-6) requires careful handling due to potential skin and eye irritation. It is classified as a hazardous substance under OSHA guidelines, necessitating protective measures such as gloves, goggles, and proper ventilation. Safety data sheets (SDS) recommend avoiding ingestion and inhalation, and it should be stored in a controlled environment to minimize risks.

How should [1-(Sulfanylmethyl)cyclopropyl]acetic acid (CAS: 162515-68-6) be stored?

[1-(Sulfanylmethyl)cyclopropyl]acetic acid (CAS: 162515-68-6) should be stored in a cool, dry, and dark place, ideally at 2-8°C. It requires airtight containers to prevent moisture exposure and degradation. Avoiding light and maintaining low humidity ensures stability, while proper labeling and storage away from incompatible materials are critical for safety.