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114522-57-5 | Ethanol, 2-(methylsulfinyl)-, carbamate (9CI)
CAS No: 114522-57-5 Catalog No: AG000ELX MDL No:
Product Description
Catalog Number:
AG000ELX
Chemical Name:
Ethanol, 2-(methylsulfinyl)-, carbamate (9CI)
CAS Number:
114522-57-5
Molecular Formula:
C4H9NO3S
Molecular Weight:
151.1842
IUPAC Name:
carbamic acid;2-methylsulfinylethanol
InChI:
InChI=1S/C3H8O2S.CH3NO2/c1-6(5)3-2-4;2-1(3)4/h4H,2-3H2,1H3;2H2,(H,3,4)
InChI Key:
RDRGHYOYGCSORV-UHFFFAOYSA-N
SMILES:
CS(=O)CCOC(=O)N
Properties
Complexity:
85.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.041g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
169.195g/mol
Monoisotopic Mass:
169.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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