3-thienyl mercaptan
 
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IUPAC name :thiophene-3-thiol
InChI :InChI=1/C4H4S2/c5-4-1-2-6-3-4/h1-3,5H
InChIKey :VSGXHZUTTFLSBC-UHFFFAOYAA
SMILES :C1=CSC=C1S
(EINECS) number :231-880-6
cas number :7774-73-4
fl. number :15.082
molar refractivity :32.81 ± 0.3 cm3
parachor :238.9 ± 4.0 cm3
index of refraction :1.636 ± 0.02
surface tension :46.4 ± 3.0 dyne/cm
density :1.269 ± 0.06 g/cm3
polarizability :13.00 ± 0.5 10-24cm3
xlogp : 1.80
molecular weight : 116.2045600
formula :C4 H4 S2
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor strength :high ,
recommend smelling in a 0.01 % solution or less
odor description :
at 0.01 % in propylene glycol.  
cooked meat
properties : 
appearence :pale yellow to yellow clear liquid
assay : 95.00 - 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 170.00 - 172.00 °C. @ 760.00 mm Hg
logp : 2.20
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 137.00  °F.  TCC  ( 58.33 °C. )
  
recommendation for 3-thienyl mercaptan usage levels up to :
 not for fragrance use.
  
safety links : 
(EINECS) number :231-880-6
chemidplus :007774734
epa-srs :7774-73-4
  
other : 
 
references : 
fl. number :15.082
pubchem :659129
NIST Chemistry WebBook :2284306716
  
synonyms :
3-mercaptothiophene
3-thienyl mercaptan
3-thiophene thiol
 thiophene-3-thiol
soluble in :
 alcohol
insoluble in :
 water
natural occurrence in :
not found in nature



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