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14501-90-7 | Thiourea, N'-(3-chloro-4-methylphenyl)-N,N-dimethyl-
CAS No: 14501-90-7 Catalog No: AG001KGS MDL No:MFCD00126035
Product Description
Catalog Number:
AG001KGS
Chemical Name:
Thiourea, N'-(3-chloro-4-methylphenyl)-N,N-dimethyl-
CAS Number:
14501-90-7
Molecular Formula:
C10H13ClN2S
Molecular Weight:
228.7416
MDL Number:
MFCD00126035
IUPAC Name:
3-(3-chloro-4-methylphenyl)-1,1-dimethylthiourea
InChI:
InChI=1S/C10H13ClN2S/c1-7-4-5-8(6-9(7)11)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)
InChI Key:
IOSRDCDJNGRQKT-UHFFFAOYSA-N
SMILES:
S=C(N(C)C)Nc1ccc(c(c1)Cl)C
NSC Number:
157380
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.738g/mol
Monoisotopic Mass:
228.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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