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13016-17-6 | 2(3H)-Oxazolethione, 4-methyl-
CAS No: 13016-17-6 Catalog No: AG000U2Y MDL No:MFCD00205664
Product Description
Catalog Number:
AG000U2Y
Chemical Name:
2(3H)-Oxazolethione, 4-methyl-
CAS Number:
13016-17-6
Molecular Formula:
C4H5NOS
Molecular Weight:
115.1536
MDL Number:
MFCD00205664
IUPAC Name:
4-methyl-3H-1,3-oxazole-2-thione
InChI:
InChI=1S/C4H5NOS/c1-3-2-6-4(7)5-3/h2H,1H3,(H,5,7)
InChI Key:
QBOFLCYFXQBLPQ-UHFFFAOYSA-N
SMILES:
Cc1coc(=S)[nH]1
NSC Number:
129751
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.009g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
115.15g/mol
Monoisotopic Mass:
115.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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