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30954-78-0 | Thiourea, N-(3,4-dichlorophenyl)-N'-methyl-
CAS No: 30954-78-0 Catalog No: AG0031RA MDL No:MFCD01763662
Product Description
Catalog Number:
AG0031RA
Chemical Name:
Thiourea, N-(3,4-dichlorophenyl)-N'-methyl-
CAS Number:
30954-78-0
Molecular Formula:
C8H8Cl2N2S
Molecular Weight:
235.1335
MDL Number:
MFCD01763662
IUPAC Name:
1-(3,4-dichlorophenyl)-3-methylthiourea
InChI:
InChI=1S/C8H8Cl2N2S/c1-11-8(13)12-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H2,11,12,13)
InChI Key:
RYPFBMWLFMYKSV-UHFFFAOYSA-N
SMILES:
CNC(=S)Nc1ccc(c(c1)Cl)Cl
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.979g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.126g/mol
Monoisotopic Mass:
233.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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