Home Sulfos 1-isocyanato-2-methanesulfonylethane

1-isocyanato-2-methanesulfonylethane

CAS No.:
631912-32-8
Catalog Number:
AG01C5SC
Molecular Formula:
C4H7NO3S
Molecular Weight:
149.1683
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Product Description
Catalog Number:
AG01C5SC
Chemical Name:
1-isocyanato-2-methanesulfonylethane
CAS Number:
631912-32-8
Molecular Formula:
C4H7NO3S
Molecular Weight:
149.1683
MDL Number:
MFCD18269619
IUPAC Name:
1-isocyanato-2-methylsulfonylethane
InChI:
InChI=1S/C4H7NO3S/c1-9(7,8)3-2-5-4-6/h2-3H2,1H3
InChI Key:
TTXHBBHPCQATEU-UHFFFAOYSA-N
SMILES:
O=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:
149.015g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.164g/mol
Monoisotopic Mass:
149.015g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties