Thiomorpholine-2-carboxylic acid

CAT: 0127-OR315576-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR315576-01Size:100 mg

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CAS Number

134676-16-7

MDL Number

MFCD09864920

Purity

95%

Smiles

OC(=O)C1CNCCS1

Chemical Information

Thiomorpholine-2-carboxylic acid

Thiomorpholine-2-carboxylic acid is a thiomorpholinemonocarboxylic acid.

CAS Number	134676-16-7
PubChem CID	9548760
IUPAC Name	thiomorpholine-2-carboxylic acid
Molecular Formula	C5H9NO2S
Molecular Weight	147.20
XLogP	-2.4
Topological Polar Surface Area	74.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	118

SMILES

C1CSC(CN1)C(=O)O

InChI

InChI=1S/C5H9NO2S/c7-5(8)4-3-6-1-2-9-4/h4,6H,1-3H2,(H,7,8)

InChIKey

ATOPRCUIYMBWLH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 134676-16-7

CID: 9548760

Formula: C5H9NO2S

MW: 147.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	147.20
XLogP3	-2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	147.03539970
Monoisotopic Mass	147.03539970
Topological Polar Surface Area	74.6 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	118
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR6324-01	Thiomorpholine-3-carboxylic acid
OR79989-01	Thiomorpholine-3-carboxylic acid hydrochloride
OR1411-01	Thiomorpholine-3-carboxylic acid, N-BOC protected
OR945274	(S) -4-Boc-thiomorpholine-3-carboxylic acid
OR84264-01	(R) -4- (tert-Butoxycarbonyl) thiomorpholine-3-carboxylic acid
OR6523-01	Thiomorpholine
OR1021040	1-Oxo-1-lambda^4-,4-thiomorpholine-3-carboxylic acid hydrochloride
PC1005156-01	2- (4-Fluorophenyl) thiomorpholine
OR12774	2-phenyl thiomorpholine hydrochloride
OR952686	Ethyl thiomorpholine-2-carboxylate

Catalog	Name
sc-280141	Thiomorpholine-2-carboxylic acid
abx180907-01	Thiomorpholine-3-carboxylic acid
291506-01	(R) -Thiomorpholine-3-carboxylic acid
sc-272600	Thiomorpholine-3-carboxylic acid hydrochloride
241669-01	(R) -Thiomorpholine-3-carboxylic acid 99+%
291497-01	1,4-Thiomorpholine-3-carboxylic acid
sc-272598	Thiomorpholine-3-carboxylic acid ethyl ester
UTB28318-01	3- (Thiomorpholine-4-sulfonyl) thiophene-2-carboxylic acid
SRB64964-01	4- (Thiomorpholine-4-sulfonyl) -1H-pyrrole-2-carboxylic acid
241588-01	(R) -4-Boc-thiomorpholine-3-carboxylic acid