ChemSpider 2D Image | XT8700000 | C7H8S

XT8700000

  • Molecular FormulaC7H8S
  • Average mass124.203 Da
  • Monoisotopic mass124.034668 Da
  • ChemSpider ID21111833

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

108-40-7 [RN]
203-578-4 [EINECS]
3-Methylbenzenethiol [ACD/IUPAC Name]
3-Méthylbenzènethiol [French] [ACD/IUPAC Name]
3-Methylbenzolthiol [German] [ACD/IUPAC Name]
Benzenethiol, 3-methyl- [ACD/Index Name]
m-Thiocresol
XT8700000
26445-03-4 [RN]
3-Mercaptotoluene
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

0TK859NX9S [DBID]
MFCD00004843 [DBID]
AIDS018265 [DBID]
AIDS-018265 [DBID]
BRN 1851959 [DBID]
HSDB 2023 [DBID]
NSC 81219 [DBID]
NSC81219 [DBID]
T28517_ALDRICH [DBID]
UNII:0TK859NX9S [DBID]
More...

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 195.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.6±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.4±3.0 kJ/mol
Flash Point: 72.8±0.0 °C
Index of Refraction: 1.578
Molar Refractivity: 39.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 53.30
ACD/KOC (pH 5.5): 588.90
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 9.43
ACD/KOC (pH 7.4): 104.16
Polar Surface Area: 39 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 118.3±3.0 cm3

Click to predict properties on the Chemicalize site


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