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88988-09-4 | Thiomorpholine, 2-octyl-
CAS No: 88988-09-4 Catalog No: AG00467K MDL No:
Product Description
Catalog Number:
AG00467K
Chemical Name:
Thiomorpholine, 2-octyl-
CAS Number:
88988-09-4
Molecular Formula:
C12H25NS
Molecular Weight:
215.3986
IUPAC Name:
2-octylthiomorpholine
InChI:
InChI=1S/C12H25NS/c1-2-3-4-5-6-7-8-12-11-13-9-10-14-12/h12-13H,2-11H2,1H3
InChI Key:
LGCYWCUWQBYGDP-UHFFFAOYSA-N
SMILES:
CCCCCCCCC1SCCNC1
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.171g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.399g/mol
Monoisotopic Mass:
215.171g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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