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125117-97-7 | Thiourea, N-(6-chloro-3-pyridinyl)-
CAS No: 125117-97-7 Catalog No: AG000N7W MDL No:MFCD15525455
Product Description
Catalog Number:
AG000N7W
Chemical Name:
Thiourea, N-(6-chloro-3-pyridinyl)-
CAS Number:
125117-97-7
Molecular Formula:
C6H6ClN3S
Molecular Weight:
187.6499
MDL Number:
MFCD15525455
IUPAC Name:
(6-chloropyridin-3-yl)thiourea
InChI:
InChI=1S/C6H6ClN3S/c7-5-2-1-4(3-9-5)10-6(8)11/h1-3H,(H3,8,10,11)
InChI Key:
KQNRFXLAUHMUSH-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1ccc(nc1)Cl
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.997g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.645g/mol
Monoisotopic Mass:
186.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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