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2-Thiophenethiol

CAS No.7774-74-5
Chemical Name:2-Thiophenethiol
CBNumber:CB6257655
Molecular Formula:C4H4S2
Formula Weight:116.2
MOL File:7774-74-5.mol

2-Thiophenethiol Property

Boiling point 129 °C(lit.)
Density 1.252 g/mL at 25 °C(lit.)
refractive index n20/D 1.62(lit.)
FEMA 3062 | 2-THIENYL MERCAPTAN
Flash point 150 °F
storage temp. Keep in dark place,Inert atmosphere,2-8°C
solubility soluble in Chloroform, DMSO
form clear liquid
pka 6.38±0.43(Predicted)
color Light yellow to Brown
Odor at 0.10 % in dipropylene glycol. burnt caramel roasted coffee
Odor Type caramellic
Sensitive Air Sensitive
JECFA Number 1052
BRN 104650
InChIKey SWEDAZLCYJDAGW-UHFFFAOYSA-N
LogP 2.20
CAS DataBase Reference 7774-74-5(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) 2-THIENYL MERCAPTAN
FDA UNII F3LB1437XQ
NIST Chemistry Reference 2-Thiophenethiol(7774-74-5)

Safety

Hazard Codes :Xi,Xn
Risk Statements :36/37/38-36/38-21/22-20/22
Safety Statements :26-36-36/37/39
RIDADR :UN3334
WGK Germany :3
F :10-13-23
Hazard Note :Irritant
HazardClass :9
PackingGroup :III
HS Code :29349990

NFPA 704:

	2
2		1

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P264-P271-P280-P302+P352-P305+P351+P338

2-Thiophenethiol Price More Price(11)

Brand: Sigma-Aldrich(India)
Product number: W306207
Product name : 2-Thiophenethiol
Purity: ≥98%, FG
Packaging: 1SAMPLE-K
Price: ₹5141.88
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: W306207
Product name : 2-Thiophenethiol
Purity: ≥98%, FG
Packaging: 25G
Price: ₹23717.58
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: W306207
Product name : 2-Thiophenethiol
Purity: ≥98%, FG
Packaging: 100G
Price: ₹56755.48
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: W306207
Product name : 2-Thiophenethiol
Purity: ≥98%, FG
Packaging: 1KG
Price: ₹360883.85
Updated: 2022/06/14
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Brand: ALFA India
Product number: ALF-B22642-14
Product name : Thiophene-2-thiol, contains dimer, 97% as monomer
Purity:
Packaging: 25g
Price: ₹14394
Updated: 2022/05/26
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2-Thiophenethiol Chemical Properties,Usage,Production

Chemical Properties 2-Thienyl mercaptan has a very unpleasant, burnt caramellic and sulfuraceous odor with a similar flavor.
Chemical Properties Clear yellowish to orange liquid
Uses 2-Thiophenethiol is used in biological studies to evaluate the changes in key odorants of hazelnut induced by roasting.
Preparation By heating sodium sulfosuccinate with phosphorous trichloride; also by reduction of thiophene-2-sulfonyl chloride.
Definition ChEBI: Thiophene-2-thiol is a heteroarene.
Synthesis Reference(s) Journal of the American Chemical Society, 75, p. 6316, 1953 DOI: 10.1021/ja01120a518
Synthesis A three-necked flask fitted with a mechanical stirrer and a 600-ml dropping funnel filled with dry nitrogen is charged with 500 ml of tetrahydrofuran and 56 g (53 ml, 0.67 mole) of thiophene. This mixture is stirred under nitrogen and cooled to ?40° with an acetone–dried ice bath while 490 ml (0.662 mole) of 1.35 M n-butyllithium in pentane is added over 5 minutes via the dropping funnel. The mixture's temperature is held between ?30° and ?20° for 1 hour, then lowered to ?70° by adding dry ice to the bath. Powdered sulfur crystals (20.4 g, 0.638 g) are added to the stirred mixture in one aliquot. After 30 minutes, the temperature is allowed to rise to ?10°, and then the yellow solution is carefully poured into 1 l of rapidly stirred ice water. These aqueous extracts are combined with the aqueous layer, and the whole is chilled and carefully acidified with 4 N sulfuric acid. This aqueous phase is immediately extracted with three 200-ml portions of diethyl ether. The combined ether extracts are washed twice with 100 ml portions of water to remove acid and remaining tetrahydrofuran and dried over anhydrous sodium sulfate. After the removal of ether, the residual golden-brown oil is purified by distillation at reduced pressure. The portion boiling at 53–56° (5 mm) is collected, yielding 49.5–53.5 g (65–70%) of 2-thiophenethiol as a yellow oil.