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102433-61-4,MFCD01676609
Catalog No.:AA0007DK
102433-61-4 | Urea, N-(2-chloroethyl)-N'-[3-(methylthio)phenyl]-
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Technical Information
Catalog Number:
AA0007DK
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
Computed 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  

Synonyms
 
102433-61-4 
1-(2-chloroethyl)-3-[3-(methylsulfanyl)phenyl]urea 
AC1L6K69 
CTK4A1069 
DTXSID30145115 
ZINC1614803 
AKOS005106793 
FA-0850 
MCULE-3478384132 
NSC-160032 
KS-0000250M 
LS-159472 
Urea, 3-(2-chloroethyl)-1-(m-(methylthio)phenyl)- 
N-(2-chloroethyl)-N'-[3-(methylsulfanyl)phenyl]urea 
C10H13ClN2OS 
C10-H13-Cl-N2-O-S 
KST-1A9596 
AR-1B0617 
CID293440 
1025-36-1 
1-(2-Chloroethyl)-3-(m-methylthiophenyl)urea 
3-(2-Chloroethyl)-1-(m-(methylthio)phenyl)urea 
3-(2-chloroethyl)-1-[3-(methylsulfanyl)phenyl]urea 
3-(2-Chloroethyl)-1-[m-(methylthio)phenyl]urea 
1-(2-chloroethyl)-3-(3-methylsulfanylphenyl)urea 
NSC160032 
AC1Q3V6Q 
Literature
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