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700-96-9,MFCD00052823
Catalog No.:AA003IFM
700-96-9 | 3,4-Dimethoxythiophenol
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$72.00   $50.00
- +
5g
95%
in stock  
$215.00   $150.00
- +
25g
95%
in stock  
$874.00   $612.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003IFM
Chemical Name:
3,4-Dimethoxythiophenol
CAS Number:
700-96-9
Molecular Formula:
C8H10O2S
Molecular Weight:
170.2288
MDL Number:
MFCD00052823
IUPAC Name:
3,4-dimethoxybenzenethiol
InChI:
InChI=1S/C8H10O2S/c1-9-7-4-3-6(11)5-8(7)10-2/h3-5,11H,1-2H3
InChI Key:
MTKAJLNGIVXZIS-UHFFFAOYSA-N
SMILES:
COc1cc(S)ccc1OC
NSC Number:
522168
Properties
Computed Properties
 
Complexity:
119  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.04g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.226g/mol
Monoisotopic Mass:
170.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
19.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Synonyms
 
3,4-Dimethoxythiophenol 
700-96-9 
NSC522168 
PubChem6823 
ACMC-1BDPF 
AC1Q4DRS 
3,4-dimethoxy-benzenethiol 
AC1L38QJ 
3,4-dimethoxyphenylmercaptan 
SCHEMBL1138620 
3,4-Dimethoxythiophenol, 97% 
CTK3J1400 
3,4-Dimethoxybenzenethiol 
MTKAJLNGIVXZIS-UHFFFAOYSA- 
DTXSID10220272 
KS-000013QZ 
ANW-35832 
SBB066510 
ZINC19735104 
AKOS009156651 
AC-1957 
MCULE-6350159813 
NE55435 
3,4-Dimethoxy thiophenol 
NSC-522168 
RP23262 
RTR-037529 
TRA0015988 
VZ25601 
AN-14429 
AS-40375 
BC210353 
SC-78742 
U133 
3,4-dimethoxybenzene-1-thiol 
DB-021932 
TL8006752 
TR-037529 
D3469 
FT-0614355 
ST50824976 
EN300-83996 
A836771 
J-511216 
InChI=1/C8H10O2S/c1-9-7-4-3-6(11)5-8(7)10-2/h3-5,11H,1-2H3 
3,4-dimethoxy-thiophenol 
O(C)c1ccc(S)cc1OC 
C8H10O2S 
CID136539 
3,4-Dimethoxythiophenol, 97% - 5G 5g 
Benzenethiol, 3,4-dimethoxy- 
MTKAJLNGIVXZIS-UHFFFAOYSA-N 
MFCD00052823 
4-Mercaptoveratrole 
Literature
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