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13881-54-4 | 1-Propene-1-sulfonyl isocyanate
CAS No: 13881-54-4 Catalog No: AG0019MO MDL No:
Product Description
Catalog Number:
AG0019MO
Chemical Name:
1-Propene-1-sulfonyl isocyanate
CAS Number:
13881-54-4
Molecular Formula:
C4H5NO3S
Molecular Weight:
147.1524
IUPAC Name:
(E)-N-(oxomethylidene)prop-1-ene-1-sulfonamide
InChI:
InChI=1S/C4H5NO3S/c1-2-3-9(7,8)5-4-6/h2-3H,1H3/b3-2+
InChI Key:
DAONPBQTUWQEQJ-NSCUHMNNSA-N
SMILES:
CC=CS(=O)(=O)N=C=O
EC Number:
237-648-0
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
146.999g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.148g/mol
Monoisotopic Mass:
146.999g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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