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

3-[(methylsulfanyl)methyl]aniline

CAS No.:
90607-33-3
Catalog Number:
AG01AH59
Molecular Formula:
C8H11NS
Molecular Weight:
153.2446
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Product Description
Catalog Number:
AG01AH59
Chemical Name:
3-[(methylsulfanyl)methyl]aniline
CAS Number:
90607-33-3
Molecular Formula:
C8H11NS
Molecular Weight:
153.2446
MDL Number:
MFCD11868819
IUPAC Name:
3-(methylsulfanylmethyl)aniline
InChI:
InChI=1S/C8H11NS/c1-10-6-7-3-2-4-8(9)5-7/h2-5H,6,9H2,1H3
InChI Key:
XLTWZLHQZGDKBF-UHFFFAOYSA-N
SMILES:
CSCc1cccc(c1)N
Properties
Complexity:
95.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.061g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
153.243g/mol
Monoisotopic Mass:
153.061g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties