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1407714-41-3 | benzo[d]isoxazole-3-carbothioamide
CAS No: 1407714-41-3 Catalog No: AG00A0A2 MDL No:
Product Description
Catalog Number:
AG00A0A2
Chemical Name:
benzo[d]isoxazole-3-carbothioamide
CAS Number:
1407714-41-3
IUPAC Name:
1,2-benzoxazole-3-carbothioamide
InChI:
InChI=1S/C8H6N2OS/c9-8(12)7-5-3-1-2-4-6(5)11-10-7/h1-4H,(H2,9,12)
InChI Key:
HDLNKWRYWKPAQS-UHFFFAOYSA-N
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.209g/mol
Monoisotopic Mass:
178.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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