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1220-00-4 | Thiourea, N,N'-bis(4-chlorophenyl)-
CAS No: 1220-00-4 Catalog No: AG0016JL MDL No:MFCD00275761
Product Description
Catalog Number:
AG0016JL
Chemical Name:
Thiourea, N,N'-bis(4-chlorophenyl)-
CAS Number:
1220-00-4
Molecular Formula:
C13H10Cl2N2S
Molecular Weight:
297.2029
MDL Number:
MFCD00275761
IUPAC Name:
1,3-bis(4-chlorophenyl)thiourea
InChI:
InChI=1S/C13H10Cl2N2S/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18)
InChI Key:
SYJZYFOTCABQES-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccc(cc1)Cl)Nc1ccc(cc1)Cl
UNII:
WHO0G02R9J
NSC Number:
56546
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.994g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
297.197g/mol
Monoisotopic Mass:
295.994g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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