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201017-90-5 | Oxazole, 2-(methylthio)-
CAS No: 201017-90-5 Catalog No: AG002D5N MDL No:MFCD18909307
Product Description
Catalog Number:
AG002D5N
Chemical Name:
Oxazole, 2-(methylthio)-
CAS Number:
201017-90-5
Molecular Formula:
C4H5NOS
Molecular Weight:
115.1536
MDL Number:
MFCD18909307
IUPAC Name:
2-methylsulfanyl-1,3-oxazole
InChI:
InChI=1S/C4H5NOS/c1-7-4-5-2-3-6-4/h2-3H,1H3
InChI Key:
XVLXLLHKDRNMGK-UHFFFAOYSA-N
SMILES:
CSc1ncco1
Properties
Complexity:
59.7
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:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
115.15g/mol
Monoisotopic Mass:
115.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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