Home Other Building Blocks 1-[2-(benzylsulfanyl)ethyl]-3-(2-methylcyclohexyl)urea

1-[2-(benzylsulfanyl)ethyl]-3-(2-methylcyclohexyl)urea

CAS No.:
1007818-44-1
Catalog Number:
AG01BIPR
Molecular Formula:
C17H26N2OS
Molecular Weight:
306.4661
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Product Description
Catalog Number:
AG01BIPR
Chemical Name:
1-[2-(benzylsulfanyl)ethyl]-3-(2-methylcyclohexyl)urea
CAS Number:
1007818-44-1
Molecular Formula:
C17H26N2OS
Molecular Weight:
306.4661
MDL Number:
MFCD10550976
IUPAC Name:
1-(2-benzylsulfanylethyl)-3-(2-methylcyclohexyl)urea
InChI:
InChI=1S/C17H26N2OS/c1-14-7-5-6-10-16(14)19-17(20)18-11-12-21-13-15-8-3-2-4-9-15/h2-4,8-9,14,16H,5-7,10-13H2,1H3,(H2,18,19,20)
InChI Key:
OWUXUXDKUOFZOQ-UHFFFAOYSA-N
SMILES:
O=C(NC1CCCCC1C)NCCSCc1ccccc1
Properties
Complexity:
305  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.177g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
306.468g/mol
Monoisotopic Mass:
306.177g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties