Home Aminos 2-{[4-(aminomethyl)thian-4-yl]oxy}ethan-1-ol

2-{[4-(aminomethyl)thian-4-yl]oxy}ethan-1-ol

CAS No.:
1696695-42-7
Catalog Number:
AG01EMGR
Molecular Formula:
C8H17NO2S
Molecular Weight:
191.2911
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Product Description
Catalog Number:
AG01EMGR
Chemical Name:
2-{[4-(aminomethyl)thian-4-yl]oxy}ethan-1-ol
CAS Number:
1696695-42-7
Molecular Formula:
C8H17NO2S
Molecular Weight:
191.2911
MDL Number:
MFCD31559701
IUPAC Name:
2-[4-(aminomethyl)thian-4-yl]oxyethanol
InChI:
InChI=1S/C8H17NO2S/c9-7-8(11-4-3-10)1-5-12-6-2-8/h10H,1-7,9H2
InChI Key:
HENIIDWLIYRDNJ-UHFFFAOYSA-N
SMILES:
OCCOC1(CN)CCSCC1
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.098g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
191.289g/mol
Monoisotopic Mass:
191.098g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties