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Home Other Building Blocks 4-(3,4-Methylenedioxybenzyl)-3-thiosemicarbazide

4-(3,4-Methylenedioxybenzyl)-3-thiosemicarbazide

CAS No.:
206761-70-8
Catalog Number:
AG002INE
Molecular Formula:
C9H11N3O2S
Molecular Weight:
225.2675
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$75
- +
5g
95%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG002INE
Chemical Name:
4-(3,4-Methylenedioxybenzyl)-3-thiosemicarbazide
CAS Number:
206761-70-8
Molecular Formula:
C9H11N3O2S
Molecular Weight:
225.2675
MDL Number:
MFCD00060506
IUPAC Name:
1-amino-3-(1,3-benzodioxol-5-ylmethyl)thiourea
InChI:
InChI=1S/C9H11N3O2S/c10-12-9(15)11-4-6-1-2-7-8(3-6)14-5-13-7/h1-3H,4-5,10H2,(H2,11,12,15)
InChI Key:
QDNGFJROOVPDTK-UHFFFAOYSA-N
SMILES:
NNC(=S)NCc1ccc2c(c1)OCO2
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.057g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
225.266g/mol
Monoisotopic Mass:
225.057g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
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