Home Other Building Blocks 3-[(ethylsulfanyl)methyl]aniline

3-[(ethylsulfanyl)methyl]aniline

CAS No.:
91267-26-4
Catalog Number:
AG01AKVV
Molecular Formula:
C9H13NS
Molecular Weight:
167.2712
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Product Description
Catalog Number:
AG01AKVV
Chemical Name:
3-[(ethylsulfanyl)methyl]aniline
CAS Number:
91267-26-4
Molecular Formula:
C9H13NS
Molecular Weight:
167.2712
MDL Number:
MFCD11986650
IUPAC Name:
3-(ethylsulfanylmethyl)aniline
InChI:
InChI=1S/C9H13NS/c1-2-11-7-8-4-3-5-9(10)6-8/h3-6H,2,7,10H2,1H3
InChI Key:
ZOAHDURNYFWGSG-UHFFFAOYSA-N
SMILES:
CCSCc1cccc(c1)N
Properties
Complexity:
106  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.077g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
167.27g/mol
Monoisotopic Mass:
167.077g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties