200,000+ products from a single source!
sales@angenechem.com
1249397-14-5 | 2-[Ethyl-(4-methylsulfanyl-benzyl)-amino]-ethanol
CAS No: 1249397-14-5 Catalog No: AG01F97O MDL No:
Product Description
Catalog Number:
AG01F97O
Chemical Name:
2-[Ethyl-(4-methylsulfanyl-benzyl)-amino]-ethanol
CAS Number:
1249397-14-5
Molecular Formula:
C12H19NOS
Molecular Weight:
225.3504
IUPAC Name:
2-[ethyl-[(4-methylsulfanylphenyl)methyl]amino]ethanol
InChI:
InChI=1S/C12H19NOS/c1-3-13(8-9-14)10-11-4-6-12(15-2)7-5-11/h4-7,14H,3,8-10H2,1-2H3
InChI Key:
PYUIDBCBJJDMQL-UHFFFAOYSA-N
SMILES:
OCCN(Cc1ccc(cc1)SC)CC
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.119g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.35g/mol
Monoisotopic Mass:
225.119g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.