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2-Thiophenethiol

2-Thiophenethiol structure

CAS No:
7774-74-5
Formula:
C4H4S2
Chemical Name:
2-Thiophenethiol
Synonyms:
2-Thiophenethiol;2-Mercaptothiophene;α-Thienyl mercaptan;2-Thienylmercaptan;2-Thienylthiol
Categories:
Flavors and Fragrances > Synthetic Fragrances

Description

Clear yellowish to orange liquid 2-Thienyl mercaptan has a very unpleasant, burnt caramellic and sulfuraceous odor with a similar flavor.

Liquid|Oily, colourless to orange liquid; powerful, sulferaceous, burnt-caramel, roasted-coffee odour

2-Thiophenethiol Basic Attributes

Molecular Weight：

116.2

Exact Mass：

116.20

BRN：

104650

EC Number：

231-881-1

UNII：

F3LB1437XQ

DSSTox ID：

DTXSID40228362

HScode：

2934999090

Characteristics

PSA：

29.2

XLogP3：

2.2

Appearance：

Liquid

Density：

1.2454 g/cm³ @ Temp: 20 °C

Boiling Point：

171.1 °C

Flash Point：

150 °F

Refractive Index：

1.636

Water Solubility：

Very slightly soluble in water

Storage Conditions：

Storeunderinertgas

Safety Information

Hazard category：

Transport codes：

UN3334

wgk germany：

hazard class code：

36/37/38-36/38-21/22-20/22

safety instructions：

26-36-36/37/39

Marks：

Xi,Xn

Hazard note：

Irritant

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (96.55%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 1420 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Thiophenethiol Use and Manufacturing

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:116.2
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:115.97544247
Monoisotopic Mass:115.97544247
Topological Polar Surface Area:29.2
Heavy Atom Count:6
Complexity:44.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Thiophenethiol

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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2-Thiophenethiol

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