Thiomorpholin-3-one

CAT: 0127-OR74805-02Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR74805-02Size:5 g

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CAS Number

20196-21-8

MDL Number

MFCD00152870

Purity

97%

Smiles

O=C1NCCSC1

Chemical Information

1,4-Tetrahydrothiazine-3-one

CAS Number	20196-21-8
PubChem CID	88402
IUPAC Name	thiomorpholin-3-one
Molecular Formula	C4H7NOS
Molecular Weight	117.17
XLogP	0
Topological Polar Surface Area	54.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	83

SMILES

C1CSCC(=O)N1

InChI

InChI=1S/C4H7NOS/c6-4-3-7-2-1-5-4/h1-3H2,(H,5,6)

InChIKey

HBDDRESWUAFAHY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 20196-21-8

CID: 88402

Formula: C4H7NOS

MW: 117.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	117.17
XLogP3	0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	117.02483502
Monoisotopic Mass	117.02483502
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	83.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1021385	3,3-Dimethyl-1-lambda^4-,4-thiomorpholin-1-one
OR1081656-01	3- (Thiomorpholin-4-ylmethyl) phenylboronic acid
BUP23501-01	3-oxo-3- (Thiomorpholin-4-yl) propanenitrile
OR1021386	3,3-Dimethyl-1-lambda^4-,4-thiomorpholin-1-one hydrochloride
OR4024-01	3- (Thiomorpholin-4-ylcarbonyl) benzeneboronic acid
PC1001497-01	3-Fluoro-4-thiomorpholin-4-ylaniline
OR32794-01	6- (Thiomorpholin-4-yl) pyridine-3-carbaldehyde
OR15298	4- (Thiomorpholin-4-yl) benzaldehyde
OR12357	2- (Thiomorpholin-4-yl) isonicotinaldehyde
PC8532	Pentafluorophenyl 2-thiomorpholin-4-ylisonicotinate

Catalog	Name
sc-481933	Thiomorpholin-3-one
JCD49130-01	6- (Trifluoromethyl) thiomorpholin-3-one
ICA72932-01	Thiomorpholin-3-ylmethanol
DEA74233-01	Thiomorpholin-3-ylmethanamine
EHA68520-01	Thiomorpholin-3-imine hydrochloride
TRC-B587528-500MG	(Thiomorpholin-3-yl)methanol
HDC17225-01	6- (Thiomorpholin-4-yl) -2,3-dihydropyridazin-3-one
MJA43215-01	3- (Thiomorpholin-4-ylmethyl) aniline
GTR19252723-01	3-oxo-3- (Thiomorpholin-4-yl) propanenitrile
sc-260582	3- (Thiomorpholin-4-ylcarbonyl) benzeneboronic acid