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205194-33-8 | 4-Thiomorpholinepropanol, 1,1-dioxide
CAS No: 205194-33-8 Catalog No: AG0029XE MDL No:MFCD03840678
Product Description
Catalog Number:
AG0029XE
Chemical Name:
4-Thiomorpholinepropanol, 1,1-dioxide
CAS Number:
205194-33-8
Molecular Formula:
C7H15NO3S
Molecular Weight:
193.2639
MDL Number:
MFCD03840678
IUPAC Name:
3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
InChI:
InChI=1S/C7H15NO3S/c9-5-1-2-8-3-6-12(10,11)7-4-8/h9H,1-7H2
InChI Key:
VAJSFWFPXNWBLF-UHFFFAOYSA-N
SMILES:
OCCCN1CCS(=O)(=O)CC1
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.077g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.261g/mol
Monoisotopic Mass:
193.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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