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77358-26-0 | 3-Isoxazolecarbothioamide,5-methyl-
CAS No: 77358-26-0 Catalog No: AG005N2B MDL No:MFCD00173804
Product Description
Catalog Number:
AG005N2B
Chemical Name:
3-Isoxazolecarbothioamide,5-methyl-
CAS Number:
77358-26-0
Molecular Formula:
C5H6N2OS
Molecular Weight:
142.1789
MDL Number:
MFCD00173804
IUPAC Name:
5-methyl-1,2-oxazole-3-carbothioamide
InChI:
InChI=1S/C5H6N2OS/c1-3-2-4(5(6)9)7-8-3/h2H,1H3,(H2,6,9)
InChI Key:
FACDYZJWOVXDHC-UHFFFAOYSA-N
SMILES:
Cc1cc(no1)C(=S)N
NSC Number:
18367
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.02g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.176g/mol
Monoisotopic Mass:
142.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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