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17605-27-5 | 1,3,4-Thiadiazol-2(3H)-one, 5-methoxy-
CAS No: 17605-27-5 Catalog No: AG0021EG MDL No:MFCD19103392
Product Description
Catalog Number:
AG0021EG
Chemical Name:
1,3,4-Thiadiazol-2(3H)-one, 5-methoxy-
CAS Number:
17605-27-5
Molecular Formula:
C3H4N2O2S
Molecular Weight:
132.1411
MDL Number:
MFCD19103392
IUPAC Name:
5-methoxy-3H-1,3,4-thiadiazol-2-one
InChI:
InChI=1S/C3H4N2O2S/c1-7-3-5-4-2(6)8-3/h1H3,(H,4,6)
InChI Key:
LRENRSMVTOWJKZ-UHFFFAOYSA-N
SMILES:
COc1n[nH]c(=O)s1
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.999g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
132.137g/mol
Monoisotopic Mass:
131.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| 5-Meth-oxy-1,3,4-thia-diazol-2(3H)-one. | Acta crystallographica. Section E, Structure reports online 20120201 |
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