sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 4-(3,4-Methylenedioxyphenyl)-3-thiosemicarbazide

4-(3,4-Methylenedioxyphenyl)-3-thiosemicarbazide

CAS No.:
206761-71-9
Catalog Number:
AG002IND
Molecular Formula:
C8H9N3O2S
Molecular Weight:
211.2410
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$66
- +
1g
1 week
United States
$114
- +
Product Description
Catalog Number:
AG002IND
Chemical Name:
4-(3,4-Methylenedioxyphenyl)-3-thiosemicarbazide
CAS Number:
206761-71-9
Molecular Formula:
C8H9N3O2S
Molecular Weight:
211.2410
MDL Number:
MFCD00060504
IUPAC Name:
1-amino-3-(1,3-benzodioxol-5-yl)thiourea
InChI:
InChI=1S/C8H9N3O2S/c9-11-8(14)10-5-1-2-6-7(3-5)13-4-12-6/h1-3H,4,9H2,(H2,10,11,14)
InChI Key:
CUFDXBXAIGZTLT-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1ccc2c(c1)OCO2
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.042g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
211.239g/mol
Monoisotopic Mass:
211.042g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties