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116539-55-0 | 2-Thiophenemethanol, α-[2-(methylamino)ethyl]-, (αS)-
CAS No: 116539-55-0 Catalog No: AG000CPZ MDL No:MFCD07357308
Product Description
Catalog Number:
AG000CPZ
Chemical Name:
2-Thiophenemethanol, α-[2-(methylamino)ethyl]-, (αS)-
CAS Number:
116539-55-0
Molecular Formula:
C8H13NOS
Molecular Weight:
171.2599
MDL Number:
MFCD07357308
IUPAC Name:
(1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol
InChI:
InChI=1S/C8H13NOS/c1-9-5-4-7(10)8-3-2-6-11-8/h2-3,6-7,9-10H,4-5H2,1H3/t7-/m0/s1
InChI Key:
YEJVVFOJMOHFRL-ZETCQYMHSA-N
SMILES:
CNCC[C@@H](c1cccs1)O
EC Number:
601-437-5
UNII:
43P2XE546O
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
171.072g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
171.258g/mol
Monoisotopic Mass:
171.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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