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Home > Nitro Compounds > 691884-60-3
691884-60-3 | (2-methyl-3-nitrophenyl)thiourea
CAS No: 691884-60-3 Catalog No: AG00IY84 MDL No:MFCD03102720
Product Description
Catalog Number:
AG00IY84
Chemical Name:
(2-methyl-3-nitrophenyl)thiourea
CAS Number:
691884-60-3
Molecular Formula:
C8H9N3O2S
Molecular Weight:
211.2410
MDL Number:
MFCD03102720
IUPAC Name:
(2-methyl-3-nitrophenyl)thiourea
InChI:
InChI=1S/C8H9N3O2S/c1-5-6(10-8(9)14)3-2-4-7(5)11(12)13/h2-4H,1H3,(H3,9,10,14)
InChI Key:
FMARWYVXAGHIER-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1cccc(c1C)[N+](=O)[O-]
Properties
Complexity:
241
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:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.239g/mol
Monoisotopic Mass:
211.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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