Home Other Building Blocks 3-[(ethylsulfanyl)methyl]pyridin-2-amine

3-[(ethylsulfanyl)methyl]pyridin-2-amine

CAS No.:
1247579-87-8
Catalog Number:
AG01BHXX
Molecular Formula:
C8H12N2S
Molecular Weight:
168.2593
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Product Description
Catalog Number:
AG01BHXX
Chemical Name:
3-[(ethylsulfanyl)methyl]pyridin-2-amine
CAS Number:
1247579-87-8
Molecular Formula:
C8H12N2S
Molecular Weight:
168.2593
MDL Number:
MFCD16765695
IUPAC Name:
3-(ethylsulfanylmethyl)pyridin-2-amine
InChI:
InChI=1S/C8H12N2S/c1-2-11-6-7-4-3-5-10-8(7)9/h3-5H,2,6H2,1H3,(H2,9,10)
InChI Key:
GCQQZXIZLRGDJW-UHFFFAOYSA-N
SMILES:
CCSCc1cccnc1N
Properties
Complexity:
108  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.072g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.258g/mol
Monoisotopic Mass:
168.072g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties