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206762-46-1 | Hydrazinecarbothioamide, N-(3,4,5-trimethoxyphenyl)-
CAS No: 206762-46-1 Catalog No: AG002IOA MDL No:MFCD00060574
Product Description
Catalog Number:
AG002IOA
Chemical Name:
Hydrazinecarbothioamide, N-(3,4,5-trimethoxyphenyl)-
CAS Number:
206762-46-1
Molecular Formula:
C10H15N3O3S
Molecular Weight:
257.3094
MDL Number:
MFCD00060574
IUPAC Name:
1-amino-3-(3,4,5-trimethoxyphenyl)thiourea
InChI:
InChI=1S/C10H15N3O3S/c1-14-7-4-6(12-10(17)13-11)5-8(15-2)9(7)16-3/h4-5H,11H2,1-3H3,(H2,12,13,17)
InChI Key:
XNRLYRGZEKWEMJ-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1cc(OC)c(c(c1)OC)OC
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.083g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
257.308g/mol
Monoisotopic Mass:
257.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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