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102433-61-4 | Urea, N-(2-chloroethyl)-N'-[3-(methylthio)phenyl]-
CAS No: 102433-61-4 Catalog No: AG0007GC MDL No:MFCD01676609
Product Description
Catalog Number:
AG0007GC
Chemical Name:
Urea, N-(2-chloroethyl)-N'-[3-(methylthio)phenyl]-
CAS Number:
102433-61-4
Molecular Formula:
C10H13ClN2OS
Molecular Weight:
244.7410
MDL Number:
MFCD01676609
IUPAC Name:
1-(2-chloroethyl)-3-(3-methylsulfanylphenyl)urea
InChI:
InChI=1S/C10H13ClN2OS/c1-15-9-4-2-3-8(7-9)13-10(14)12-6-5-11/h2-4,7H,5-6H2,1H3,(H2,12,13,14)
InChI Key:
JAQDDUFJBPBWOL-UHFFFAOYSA-N
SMILES:
ClCCNC(=O)Nc1cccc(c1)SC
NSC Number:
160032
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.737g/mol
Monoisotopic Mass:
244.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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