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1892830-49-7 | (2-methyl-1,3-oxazol-5-yl)methanethiol
CAS No: 1892830-49-7 Catalog No: AG01C9BD MDL No:MFCD30661874
Product Description
Catalog Number:
AG01C9BD
Chemical Name:
(2-methyl-1,3-oxazol-5-yl)methanethiol
CAS Number:
1892830-49-7
Molecular Formula:
C5H7NOS
Molecular Weight:
129.1802
MDL Number:
MFCD30661874
IUPAC Name:
(2-methyl-1,3-oxazol-5-yl)methanethiol
InChI:
InChI=1S/C5H7NOS/c1-4-6-2-5(3-8)7-4/h2,8H,3H2,1H3
InChI Key:
HJPPKENNTBCDLR-UHFFFAOYSA-N
SMILES:
Cc1ncc(o1)CS
Properties
Complexity:
78.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.025g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
129.177g/mol
Monoisotopic Mass:
129.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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