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38663-85-3,MFCD00041126
Catalog No.:AA003HHE
38663-85-3 | 2-METHOXYETHYL ISOTHIOCYANATE
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
99%
1 week  
$114.00
- +
5g
99%
1 week  
$142.00
- +
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA003HHE
Chemical Name:
2-METHOXYETHYL ISOTHIOCYANATE
CAS Number:
38663-85-3
Molecular Formula:
C4H7NOS
Molecular Weight:
117.1695
MDL Number:
MFCD00041126
IUPAC Name:
1-isothiocyanato-2-methoxyethane
InChI:
InChI=1S/C4H7NOS/c1-6-3-2-5-4-7/h2-3H2,1H3
InChI Key:
HTSAVXAFEVUJQE-UHFFFAOYSA-N
SMILES:
COCCN=C=S
EC Number:
254-070-4
Properties
Computed Properties
 
Complexity:
77.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.025g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
117.166g/mol
Monoisotopic Mass:
117.025g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Synonyms
 
2-Methoxyethyl isothiocyanate 
38663-85-3 
EINECS 254-070-4 
ZERO/005773 
ACMC-1AEZW 
AC1Q4FVK 
AC1L3WO7 
AC1Q7EW1 
SCHEMBL678193 
2-methoxy ethyl isothiocyanate 
CTK4I0288 
DTXSID80191965 
1-Isothiocyanato-2-methoxyethane 
1-Isothiocyanato-2-methoxyethane # 
ALBB-016794 
Ethane,1-isothiocyanato-2-methoxy- 
ZINC2168500 
2-Methoxyethyl isothiocyanate, 95% 
2206AE 
BBL011963 
GEO-01678 
SBB013663 
STK397536 
2-methoxyethylisothiocyanate 
1-isothiocyanato-2-(methyloxy)ethane 
AKOS000101193 
MCULE-4661994491 
DB-021299 
TR-036670 
FT-0612841 
FT-0612845 
ST50587635 
Z-0473 
137315-EP2292606A1 
Ethane, 1-isothiocyanato-2-methoxy- 
I09-2741 
J-802091 
C4H7NOS 
4-Bromophenyl isothiocyanate 
C4-H7-N-O-S 
AR-1C4161 
CID123475 
2-Methoxyethyl isothiocyanate, 98% - 1G 1g 
40525-21-1 
1-isothiocyanato-2-methoxy-ethane 
HTSAVXAFEVUJQE-UHFFFAOYSA-N 
1-(Isothiocyanato)-2-methoxyethane 
MFCD00041126 
2-methoxyethanisothiocyanate 
Literature
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