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63980-69-8 | 1-(5-Chloro-2-methoxyphenyl);thiourea
CAS No: 63980-69-8 Catalog No: AG003MN9 MDL No:MFCD00041169
Product Description
Catalog Number:
AG003MN9
Chemical Name:
1-(5-Chloro-2-methoxyphenyl);thiourea
CAS Number:
63980-69-8
Molecular Formula:
C8H9ClN2OS
Molecular Weight:
216.6879
MDL Number:
MFCD00041169
IUPAC Name:
(5-chloro-2-methoxyphenyl)thiourea
InChI:
InChI=1S/C8H9ClN2OS/c1-12-7-3-2-5(9)4-6(7)11-8(10)13/h2-4H,1H3,(H3,10,11,13)
InChI Key:
SEMNHAXMORNHNR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1NC(=S)N)Cl
NSC Number:
25002
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.012g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.683g/mol
Monoisotopic Mass:
216.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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