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Home Carboxys Benzo[b]thiophene-2-carboxylicacid, 4,5,6,7-tetrahydro-5-methyl-, hydrazide

Benzo[b]thiophene-2-carboxylicacid, 4,5,6,7-tetrahydro-5-methyl-, hydrazide

CAS No.:
777880-70-3
Catalog Number:
AG0057JG
Molecular Formula:
C10H14N2OS
Molecular Weight:
210.2960
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Product Description
Catalog Number:
AG0057JG
Chemical Name:
Benzo[b]thiophene-2-carboxylicacid, 4,5,6,7-tetrahydro-5-methyl-, hydrazide
CAS Number:
777880-70-3
Molecular Formula:
C10H14N2OS
Molecular Weight:
210.2960
MDL Number:
MFCD04969093
IUPAC Name:
5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
InChI:
InChI=1S/C10H14N2OS/c1-6-2-3-8-7(4-6)5-9(14-8)10(13)12-11/h5-6H,2-4,11H2,1H3,(H,12,13)
InChI Key:
OXNMMXRMVHHCBQ-UHFFFAOYSA-N
SMILES:
NNC(=O)c1cc2c(s1)CCC(C2)C
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.083g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
210.295g/mol
Monoisotopic Mass:
210.083g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties