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99055-98-8 | 2-(1,3-BENZOTHIAZOL-2-YLTHIO)PROPANOHYDRAZIDE
CAS No: 99055-98-8 Catalog No: AG005T8K MDL No:MFCD02161583
Product Description
Catalog Number:
AG005T8K
Chemical Name:
2-(1,3-BENZOTHIAZOL-2-YLTHIO)PROPANOHYDRAZIDE
CAS Number:
99055-98-8
Molecular Formula:
C10H11N3OS2
Molecular Weight:
253.3438
MDL Number:
MFCD02161583
IUPAC Name:
2-(1,3-benzothiazol-2-ylsulfanyl)propanehydrazide
InChI:
InChI=1S/C10H11N3OS2/c1-6(9(14)13-11)15-10-12-7-4-2-3-5-8(7)16-10/h2-6H,11H2,1H3,(H,13,14)
InChI Key:
VOGBLLDTRYGTIG-UHFFFAOYSA-N
SMILES:
NNC(=O)C(Sc1nc2c(s1)cccc2)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.034g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.338g/mol
Monoisotopic Mass:
253.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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