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192777-50-7

192777-50-7 | Thiourea, N-(5-chlorohydroxy-2-methylphenyl)-N'-(2-methylpropyl)- (9CI)

CAS No: 192777-50-7 Catalog No: AG002GAT MDL No:

Product Description

Catalog Number:
AG002GAT
Chemical Name:
Thiourea, N-(5-chlorohydroxy-2-methylphenyl)-N'-(2-methylpropyl)- (9CI)
CAS Number:
192777-50-7
Molecular Formula:
C12H17ClN2OS
Molecular Weight:
272.7942
IUPAC Name:
1-(5-chloro-3-hydroxy-2-methylphenyl)-3-(2-methylpropyl)thiourea
InChI:
InChI=1S/C12H17ClN2OS/c1-7(2)6-14-12(17)15-10-4-9(13)5-11(16)8(10)3/h4-5,7,16H,6H2,1-3H3,(H2,14,15,17)
InChI Key:
MWZUNLBVOLINRP-UHFFFAOYSA-N
SMILES:
CC(CNC(=S)Nc1cc(Cl)cc(c1C)O)C

Properties

Complexity:
263  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.075g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
272.791g/mol
Monoisotopic Mass:
272.075g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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