Furan-2-ylmethanethiol

Furan-2-ylmethanethiol
Systematic name Furan-2-ylmethanethiol[1]
Other names (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 N
PubChem	7363
ChemSpider	7085 Y
EC number	202-628-2
UN number	3336
MeSH	furfuryl+mercaptan
RTECS number	LU2100000
Beilstein Reference	383594
Jmol-3D images	Image 1 Image 2
SMILES SCc1ccco1 SCC1=CC=CO1
InChI InChI=1S/C5H6OS/c7-4-5-2-1-3-6-5/h1-3,7H,4H2 Y Key: ZFFTZDQKIXPDAF-UHFFFAOYSA-N Y
Properties
Molecular formula	C5H6OS
Molar mass	114.17 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	Xi
R-phrases	R10, R36/37/38
S-phrases	(S2), S24/25, S26, S36
Flash point	45 °C; 113 °F; 318 K
LD50	100-200 mg kg-1 (mouse)
N (verify) (what is: Y/N?) Except where noted otherwise, data are given for materials in their standard state (at 25 °C (77 °F), 100 kPa)
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. In fact, it is a key component of the aroma of roasted coffee.

References