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101258-25-7 | 4-Isothiazolecarboxylic acid, hydrazide
CAS No: 101258-25-7 Catalog No: AG000434 MDL No:MFCD26938452
Product Description
Catalog Number:
AG000434
Chemical Name:
4-Isothiazolecarboxylic acid, hydrazide
CAS Number:
101258-25-7
Molecular Formula:
C4H5N3OS
Molecular Weight:
143.1670
MDL Number:
MFCD26938452
IUPAC Name:
1,2-thiazole-4-carbohydrazide
InChI:
InChI=1S/C4H5N3OS/c5-7-4(8)3-1-6-9-2-3/h1-2H,5H2,(H,7,8)
InChI Key:
OOQQNQZWXACBPO-UHFFFAOYSA-N
SMILES:
NNC(=O)c1csnc1
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.015g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
143.164g/mol
Monoisotopic Mass:
143.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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