Benzyl mercaptan

Benzyl mercaptan
Names
	Preferred IUPAC name Phenylmethanethiol
	Other names alpha-Toluenethiol; Benzylthiol; Thiobenzyl alcohol; Benzyl mercaptan; alpha-Toluolthiol; Benzylhydrosulfide; Benzyl hydrosulfide
Identifiers
CAS Number	100-53-8 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:137674;
ChEMBL	ChEMBL1224557 ;
ChemSpider	13851383 ;
ECHA InfoCard	100.002.602
PubChem CID	7509;
UNII	OS34A21OBZ ;
CompTox Dashboard (EPA)	DTXSID6026664 ;
	InChI InChI=1S/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2 Key: UENWRTRMUIOCKN-UHFFFAOYSA-N ; InChI=1/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2 Key: UENWRTRMUIOCKN-UHFFFAOYAC;
	SMILES SCc1ccccc1;
Properties
Chemical formula	C7H8S
Molar mass	124.20 g/mol
Appearance	colourless liquid
Odor	Unpleasant leek or garlic-like
Density	1.058 g/mL
Melting point	−30 °C (−22 °F; 243 K)
Boiling point	195 °C (383 °F; 468 K)
Solubility in water	low
Solubility	very soluble in ethanol, ether ; soluble in CS2 ; slightly soluble in CCl4
Acidity (pKa)	9.43 (H2O)
Refractive index (nD)	1.5751 (20 °C)
Hazards
NFPA 704 (fire diamond)	2 2 0
Flash point	70 °C (158 °F; 343 K)
	Lethal dose or concentration (LD, LC):
LD50 (median dose)	493 mg/kg (rat, oral)
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Benzyl mercaptan is an organosulfur compound with the formula C₆H₅CH₂SH. It is a common laboratory alkylthiol that occurs in trace amounts naturally. It is a colorless, malodorous liquid.

Names


Preferred IUPAC name Phenylmethanethiol
Other names alpha-Toluenethiol Benzylthiol Thiobenzyl alcohol Benzyl mercaptan alpha-Toluolthiol Benzylhydrosulfide Benzyl hydrosulfide
Identifiers
CAS Number	100-53-8^Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:137674
ChEMBL	ChEMBL1224557^Y
ChemSpider	13851383^Y
ECHA InfoCard	100.002.602
PubChem CID	7509
UNII	OS34A21OBZ^N
CompTox Dashboard (EPA)	DTXSID6026664
InChI InChI=1S/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2^Y Key: UENWRTRMUIOCKN-UHFFFAOYSA-N^Y InChI=1/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2 Key: UENWRTRMUIOCKN-UHFFFAOYAC
SMILES SCc1ccccc1
Properties
Chemical formula	C₇H₈S
Molar mass	124.20 g/mol
Appearance	colourless liquid
Odor	Unpleasant leek or garlic-like
Density	1.058 g/mL
Melting point	−30 °C (−22 °F; 243 K)
Boiling point	195 °C (383 °F; 468 K)
Solubility in water	low
Solubility	very soluble in ethanol, ether soluble in CS₂ slightly soluble in CCl₄
Acidity (pK_a)	9.43 (H₂O)
Refractive index (n_D)	1.5751 (20 °C)
Hazards
NFPA 704 (fire diamond)	2 2 0
Flash point	70 °C (158 °F; 343 K)
Lethal dose or concentration (LD, LC):
LD₅₀ (median dose)	493 mg/kg (rat, oral)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is ^YN ?) Infobox references