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832098-90-5 | Thiourea, (2-phenyl-1,3-benzodioxol-5-yl)-
CAS No: 832098-90-5 Catalog No: AG004ZYM MDL No:
Product Description
Catalog Number:
AG004ZYM
Chemical Name:
Thiourea, (2-phenyl-1,3-benzodioxol-5-yl)-
CAS Number:
832098-90-5
Molecular Formula:
C14H12N2O2S
Molecular Weight:
272.3223
IUPAC Name:
(2-phenyl-1,3-benzodioxol-5-yl)thiourea
InChI:
InChI=1S/C14H12N2O2S/c15-14(19)16-10-6-7-11-12(8-10)18-13(17-11)9-4-2-1-3-5-9/h1-8,13H,(H3,15,16,19)
InChI Key:
XFXRPVAWVLUVPW-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1ccc2c(c1)OC(O2)c1ccccc1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.322g/mol
Monoisotopic Mass:
272.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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