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54013-55-7 | 4,4-DIMETHYLOXAZOLIDINE-2-THIONE
CAS No: 54013-55-7 Catalog No: AG00D9OO MDL No:MFCD00052156
Product Description
Catalog Number:
AG00D9OO
Chemical Name:
4,4-DIMETHYLOXAZOLIDINE-2-THIONE
CAS Number:
54013-55-7
Molecular Formula:
C5H9NOS
Molecular Weight:
131.1961
MDL Number:
MFCD00052156
IUPAC Name:
4,4-dimethyl-1,3-oxazolidine-2-thione
InChI:
InChI=1S/C5H9NOS/c1-5(2)3-7-4(8)6-5/h3H2,1-2H3,(H,6,8)
InChI Key:
VIMMIOUDVZQBAK-UHFFFAOYSA-N
SMILES:
S=C1OCC(N1)(C)C
EC Number:
258-924-7
UNII:
4IQJ8FF300
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.04g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
131.193g/mol
Monoisotopic Mass:
131.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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