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4-(3-hydroxypropyl)-1??-thiomorpholine-1,1-dione

4-(3-hydroxypropyl)-1??-thiomorpholine-1,1-dione

CAS: 205194-33-8

Formula: C7H15NO3S

SMILES: OCCCN1CCS(=O)(=O)CC1

IUPAC: 4-(3-hydroxypropyl)-1??-thiomorpholine-1,1-dione

InChI: InChI=1S/C7H15NO3S/c9-5-1-2-8-3-6-12(10,11)7-4-8/h9H,1-7H2

Composition: C (43.50%), H (7.82%), N (7.25%), O (24.84%), S (16.59%)

Molar Mass: 193.26

Atom Count: 27

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 193.077264521
Formal Charge 0
FSP3 1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey VAJSFWFPXNWBLF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.75
Topological Polar Surface Area 57.61
Polarizability 19.27
Ring Count 1
Rotatable Bond Count 3

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