Home Sulfos 1-isothiocyanato-2-methanesulfonylethane

1-isothiocyanato-2-methanesulfonylethane

CAS No.:
1086228-14-9
Catalog Number:
AG01AAYH
Molecular Formula:
C4H7NO2S2
Molecular Weight:
165.2339
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Product Description
Catalog Number:
AG01AAYH
Chemical Name:
1-isothiocyanato-2-methanesulfonylethane
CAS Number:
1086228-14-9
Molecular Formula:
C4H7NO2S2
Molecular Weight:
165.2339
MDL Number:
MFCD12806742
IUPAC Name:
1-isothiocyanato-2-methylsulfonylethane
InChI:
InChI=1S/C4H7NO2S2/c1-9(6,7)3-2-5-4-8/h2-3H2,1H3
InChI Key:
PXVHQFMYBFOZMY-UHFFFAOYSA-N
SMILES:
S=C=NCCS(=O)(=O)C
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.992g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.225g/mol
Monoisotopic Mass:
164.992g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties