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69528-52-5 | 3-mercaptoisoxazole
CAS No: 69528-52-5 Catalog No: AG00FGST MDL No:
Product Description
Catalog Number:
AG00FGST
Chemical Name:
3-mercaptoisoxazole
CAS Number:
69528-52-5
IUPAC Name:
1,2-oxazole-3-thione
InChI:
InChI=1S/C3H3NOS/c6-3-1-2-5-4-3/h1-2H,(H,4,6)
InChI Key:
YDVARACJVYZWSP-UHFFFAOYSA-N
Properties
Complexity:
99
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.994g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
101.123g/mol
Monoisotopic Mass:
100.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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