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68289-72-5 | 5-methylthioisoxazole
CAS No: 68289-72-5 Catalog No: AG00FGTB MDL No:MFCD18909310
Product Description
Catalog Number:
AG00FGTB
Chemical Name:
5-methylthioisoxazole
CAS Number:
68289-72-5
Molecular Formula:
C4H5NOS
Molecular Weight:
115.1536
MDL Number:
MFCD18909310
IUPAC Name:
5-methylsulfanyl-1,2-oxazole
InChI:
InChI=1S/C4H5NOS/c1-7-4-2-3-5-6-4/h2-3H,1H3
InChI Key:
WPYLYDNVVIYCEO-UHFFFAOYSA-N
SMILES:
CSc1ccno1
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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