Furan-2-ylmethanethiol

Furan-2-ylmethanethiol

Names
Preferred IUPAC name (Furan-2-yl)methanethiol
Other names Furan-2-ylmethanethiol (2-Furanyl)methylmercaptan 2-Furfurylmercaptan Furfuryl mercaptan 2-Furfurylthiol Furfuryl thiol 2-Furylmethanethiol 2-Furylmethyl mercaptan 2-(Mercaptomethyl)furan
Identifiers
CAS Number	98-02-2
3D model (Jmol)	Interactive image Interactive image
Beilstein Reference	383594
ChemSpider	7085
ECHA InfoCard	100.002.390
EC Number	202-628-2
MeSH	furfuryl+mercaptan
PubChem	7363
RTECS number	LU2100000
UN number	3336
InChI InChI=1S/C5H6OS/c7-4-5-2-1-3-6-5/h1-3,7H,4H2 Key: ZFFTZDQKIXPDAF-UHFFFAOYSA-N
SMILES SCc1ccco1 SCC1=CC=CO1
Properties
Chemical formula	C5H6OS
Molar mass	114.16 g·mol^−1
Appearance	Colourless liquid
Odor	Roasted coffee, Caramel, Sulfurous, Waxy
Density	1.132 g cm^−3
Boiling point	155 °C; 311 °F; 428 K
Vapor pressure	531 Pa
Hazards
GHS pictograms
GHS signal word	WARNING
GHS hazard statements	H226
EU classification (DSD)	Xi
R-phrases	R10, R36/37/38
S-phrases	(S2), S24/25, S26, S36
Flash point	45 °C (113 °F; 318 K)
Lethal dose or concentration (LD, LC):
LD50 (median dose)	100-200 mg kg^−1 (mouse)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references

Furan-2-ylmethanethiol is an organic compound containing a furan substituted with a sulfanylmethyl group. It is a clear colourless liquid when pure, but it becomes yellow coloured upon prolonged standing. It possesses a strong odour of roasted coffee and a bitter taste. It is a key component of the aroma of roasted coffee.

References