Home Other Building Blocks {4-[(methylsulfanyl)methyl]phenyl}methanamine

{4-[(methylsulfanyl)methyl]phenyl}methanamine

CAS No.:
854304-48-6
Catalog Number:
AG01BAVH
Molecular Formula:
C9H13NS
Molecular Weight:
167.2712
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Product Description
Catalog Number:
AG01BAVH
Chemical Name:
{4-[(methylsulfanyl)methyl]phenyl}methanamine
CAS Number:
854304-48-6
Molecular Formula:
C9H13NS
Molecular Weight:
167.2712
MDL Number:
MFCD12823760
IUPAC Name:
[4-(methylsulfanylmethyl)phenyl]methanamine
InChI:
InChI=1S/C9H13NS/c1-11-7-9-4-2-8(6-10)3-5-9/h2-5H,6-7,10H2,1H3
InChI Key:
CVMFLJRLXDDACA-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1)CSC
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:
1.2  
Properties