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760993-48-4 | Thiomorpholine, 4-[(2S)-2-pyrrolidinylmethyl]-
CAS No: 760993-48-4 Catalog No: AG0057VS MDL No:
Product Description
Catalog Number:
AG0057VS
Chemical Name:
Thiomorpholine, 4-[(2S)-2-pyrrolidinylmethyl]-
CAS Number:
760993-48-4
Molecular Formula:
C9H18N2S
Molecular Weight:
186.3176
IUPAC Name:
4-[[(2S)-pyrrolidin-2-yl]methyl]thiomorpholine
InChI:
InChI=1S/C9H18N2S/c1-2-9(10-3-1)8-11-4-6-12-7-5-11/h9-10H,1-8H2/t9-/m0/s1
InChI Key:
SJDJIBHRMOPSOD-VIFPVBQESA-N
SMILES:
S1CCN(CC1)C[C@@H]1CCCN1
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
186.119g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.317g/mol
Monoisotopic Mass:
186.119g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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