(5R) -5-Methylthiomorpholin-3-one

CAT: 0926-AVD25031-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-AVD25031-01Size:50 mg

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CAS Number

2375250-31-8

MDL Number

MFCD32198208

Smiles

CC1CSCC (=O) N1

Molecular Formula

C5H9NOS

Molecular Weight

131.2 g/mol

Controlled

Chemical Information

(5R)-5-methylthiomorpholin-3-one

CAS Number	2375250-31-8
PubChem CID	145874668
IUPAC Name	(5R)-5-methylthiomorpholin-3-one
Molecular Formula	C5H9NOS
Molecular Weight	131.20
XLogP	0.4
Topological Polar Surface Area	54.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	105

SMILES

C[C@@H]1CSCC(=O)N1

InChI

InChI=1S/C5H9NOS/c1-4-2-8-3-5(7)6-4/h4H,2-3H2,1H3,(H,6,7)/t4-/m1/s1

InChIKey

YKMWFCOHFQMQQT-SCSAIBSYSA-N

Chemical Structure

2D Structure

CAS: 2375250-31-8

CID: 145874668

Formula: C5H9NOS

MW: 131.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	131.20
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	131.04048508
Monoisotopic Mass	131.04048508
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	105
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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