2-methylthiomorpholin-3-one

2-methylthiomorpholin-3-one

CAS: 69226-20-6

Formula: C5H9NOS

SMILES: CC1SCCNC1=O

IUPAC: 2-methylthiomorpholin-3-one

InChI: InChI=1/C5H9NOS/c1-4-5(7)6-2-3-8-4/h4H,2-3H2,1H3,(H,6,7)

Composition: C (45.78%), H (6.92%), N (10.68%), O (12.20%), S (24.44%)

Molar Mass: 131.19

Atom Count: 17

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	131.040485088
Formal Charge	0
FSP3	0.8
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	JFQNETYDIXLTTR-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	34.57
Topological Polar Surface Area	29.1
Polarizability	13.5
Ring Count	1
Rotatable Bond Count	0

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