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125559-71-9

125559-71-9 | Benzenamine, 4-(1,3-dithian-2-yl)-

CAS No: 125559-71-9 Catalog No: AG000NVE MDL No:

Product Description

Catalog Number:
AG000NVE
Chemical Name:
Benzenamine, 4-(1,3-dithian-2-yl)-
CAS Number:
125559-71-9
Molecular Formula:
C10H13NS2
Molecular Weight:
211.3469
IUPAC Name:
4-(1,3-dithian-2-yl)aniline
InChI:
InChI=1S/C10H13NS2/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h2-5,10H,1,6-7,11H2
InChI Key:
AOSUZXXNHYAUEJ-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)C1SCCCS1

Properties

Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.049g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
211.341g/mol
Monoisotopic Mass:
211.049g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

Literature

Title Journal
Aldehyde-functionalized benzenediazonium cation for multiprobe immobilization on microelectrode array surfaces. Langmuir : the ACS journal of surfaces and colloids 20110201

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