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885268-81-5 | Benzenemethanamine,3-(ethylthio)-
CAS No: 885268-81-5 Catalog No: AG004815 MDL No:MFCD08234489
Product Description
Catalog Number:
AG004815
Chemical Name:
Benzenemethanamine,3-(ethylthio)-
CAS Number:
885268-81-5
Molecular Formula:
C9H13NS
Molecular Weight:
167.2712
MDL Number:
MFCD08234489
IUPAC Name:
(3-ethylsulfanylphenyl)methanamine
InChI:
InChI=1S/C9H13NS/c1-2-11-9-5-3-4-8(6-9)7-10/h3-6H,2,7,10H2,1H3
InChI Key:
BHSXLOMVDSFFHO-UHFFFAOYSA-N
SMILES:
CCSc1cccc(c1)CN
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
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