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893737-13-8

893737-13-8 | 5-[4-(Methylsulfanyl)phenyl]indoline

CAS No: 893737-13-8 Catalog No: AG01EYNN MDL No:

Product Description

Catalog Number:
AG01EYNN
Chemical Name:
5-[4-(Methylsulfanyl)phenyl]indoline
CAS Number:
893737-13-8
Molecular Formula:
C15H15NS
Molecular Weight:
241.3513
IUPAC Name:
5-(4-methylsulfanylphenyl)-2,3-dihydro-1H-indole
InChI:
InChI=1S/C15H15NS/c1-17-14-5-2-11(3-6-14)12-4-7-15-13(10-12)8-9-16-15/h2-7,10,16H,8-9H2,1H3
InChI Key:
WBUMWYILWMONHW-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1ccc2c(c1)CCN2

Properties

Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.093g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
241.352g/mol
Monoisotopic Mass:
241.093g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

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