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206761-70-8 | Hydrazinecarbothioamide, N-(1,3-benzodioxol-5-ylmethyl)-
CAS No: 206761-70-8 Catalog No: AG002INE MDL No:MFCD00060506
Product Description
Catalog Number:
AG002INE
Chemical Name:
Hydrazinecarbothioamide, N-(1,3-benzodioxol-5-ylmethyl)-
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 |
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