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35967-24-9,MFCD00041076
Catalog No.:AA003ICB
35967-24-9 | 3,4,5-Trimethoxyphenyl isothiocyanate
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
1 week  
$340.00   $238.00
- +
5g
98%
1 week  
$733.00   $513.00
- +
25g
98%
1 week  
$2,429.00   $1,700.00
- +
  • Technical Information
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003ICB
Chemical Name:
3,4,5-Trimethoxyphenyl isothiocyanate
CAS Number:
35967-24-9
Molecular Formula:
C10H11NO3S
Molecular Weight:
225.2642
MDL Number:
MFCD00041076
IUPAC Name:
5-isothiocyanato-1,2,3-trimethoxybenzene
InChI:
InChI=1S/C10H11NO3S/c1-12-8-4-7(11-6-15)5-9(13-2)10(8)14-3/h4-5H,1-3H3
InChI Key:
AFWKAIYTSPWWCA-UHFFFAOYSA-N
SMILES:
S=C=Nc1cc(OC)c(c(c1)OC)OC
EC Number:
252-820-5
Properties
Computed Properties
 
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.046g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.262g/mol
Monoisotopic Mass:
225.046g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Synonyms
 
3,4,5-Trimethoxyphenyl isothiocyanate 
35967-24-9 
ACMC-20ang2 
AC1L3NTE 
AC1Q7EWD 
SCHEMBL457065 
CTK4H5660 
TOS-BB-1124 
DTXSID90189515 
ALBB-008918 
ZINC4290257 
ZX-AN007813 
5-Isothiocyanato-1,2,3-trimethoxybenzene 
1573AE 
3,4,5 trimethoxyphenylisothiocyanate 
MFCD00041076 
SBB012824 
STK501314 
3,4,5-Trimethoxyphenyl isothiocynate 
AKOS000212395 
MCULE-7552570165 
3,4,5-trimethoxy-phenyl isothiocyanate 
ACM35967249 
3,4,5-trimethoxyphenylisothiocyanate 
5-isothiocyanato-1.2.3-trimethoxybenzene 
BP-11154 
CC-13030 
OR322126 
DB-021834 
ST4128281 
TR-014808 
3,4,5-Trimethoxyphenyl isothiocyanate, 98% 
5-Isothiocyanato-1,2,3-trimethoxybenzene # 
Benzene,5-isothiocyanato-1,2,3-trimethoxy- 
Benzene, 5-isothiocyanato-1,2,3-trimethoxy- 
FT-0614173 
R1695 
C-12773 
I01-15566 
InChI=1/C10H11NO3S/c1-12-8-4-7(11-6-15)5-9(13-2)10(8)14-3/h4-5H,1-3H 
C10H11NO3S 
C10-H11-N-O3-S 
AR-1G8632 
CID118900 
3,4,5-Trimethoxyphenyl isothiocyanate, 98% - 1G 1g 
AFWKAIYTSPWWCA-UHFFFAOYSA-N 
37227-98-8 
GEO-03398 
3,4,5-trimethoxybenzenisothiocyanate 
EINECS 252-820-5 
ZERO/004630 
Literature

Title: New heterocyclic compounds from 1,2,4-triazole and 1,3,4-thiadiazole class bearing diphenylsulfone moieties. Synthesis, characterization and antimicrobial activity evaluation.

Journal: European journal of medicinal chemistry 20120301

Title: 1-(4-Hy-droxy-phen-yl)-3-(3,4,5-tri-methoxy-phen-yl)thio-urea.

Journal: Acta crystallographica. Section E, Structure reports online 20101201

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