Home Other Building Blocks 4-[2-(methylsulfanyl)ethyl]aniline

4-[2-(methylsulfanyl)ethyl]aniline

CAS No.:
233772-17-3
Catalog Number:
AG01AA2E
Molecular Formula:
C9H13NS
Molecular Weight:
167.2712
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Product Description
Catalog Number:
AG01AA2E
Chemical Name:
4-[2-(methylsulfanyl)ethyl]aniline
CAS Number:
233772-17-3
Molecular Formula:
C9H13NS
Molecular Weight:
167.2712
MDL Number:
MFCD12823661
IUPAC Name:
4-(2-methylsulfanylethyl)aniline
InChI:
InChI=1S/C9H13NS/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5H,6-7,10H2,1H3
InChI Key:
UZSOOSNDONDRKM-UHFFFAOYSA-N
SMILES:
CSCCc1ccc(cc1)N
Properties
Complexity:
97.7  
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:
1.4  
Properties