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140454-86-0 | Thiocyanic acid, 5-amino-3-methyl-4-isoxazolyl ester
CAS No: 140454-86-0 Catalog No: AG001CH0 MDL No:MFCD08754034
Product Description
Catalog Number:
AG001CH0
Chemical Name:
Thiocyanic acid, 5-amino-3-methyl-4-isoxazolyl ester
CAS Number:
140454-86-0
Molecular Formula:
C5H5N3OS
Molecular Weight:
155.1777
MDL Number:
MFCD08754034
IUPAC Name:
(5-amino-3-methyl-1,2-oxazol-4-yl) thiocyanate
InChI:
InChI=1S/C5H5N3OS/c1-3-4(10-2-6)5(7)9-8-3/h7H2,1H3
InChI Key:
LOPRWIISVYKWFQ-UHFFFAOYSA-N
SMILES:
N#CSc1c(N)onc1C
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.015g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.175g/mol
Monoisotopic Mass:
155.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Mannan changes induced by 3-methyl-5-aminoisoxazole-4-thiocyanate, a new azole derivative, on Epidermophyton floccosum. | Fungal genetics and biology : FG & B 20020601 |
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