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38663-85-3 | 2-METHOXYETHYL ISOTHIOCYANATE
CAS No: 38663-85-3 Catalog No: AG003HK6 MDL No:MFCD00041126
Product Description
Catalog Number:
AG003HK6
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
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
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