AG002KCK

20960-92-3 | Thiomorpholine-3-Carboxylic Acid

AG002KCK

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CAS Number	20960-92-3
Catalog Number	AG002KCK(AGN-PC-0JRAGH)
Chemical Name	Thiomorpholine-3-Carboxylic Acid
IUPAC Name	thiomorpholine-3-carboxylic acid
InChI	InChI=1S/C5H9NO2S/c7-5(8)4-3-9-2-1-6-4/h4,6H,1-3H2,(H,7,8)
InChI Key	JOKIQGQOKXGHDV-UHFFFAOYSA-N
MDL Number	MFCD02181162
Molecular Formula	C5H9NO2S
Molecular Weight	147.1955
SMILES	C(=O)(O)C1CSCCN1
Synonyms	1,4-thiomorpholine-3-carboxylic acid, 1,4-TMCA, thiomorpholine-3-carboxylic acid, 20960-92-3, 3-Thiomorpholinecarboxylic acid, Thiomorpholine 3-carboxylate, 1,4-Thiomorpholine-3-carboxylic acid, MFCD02181162, 3-Thiomorpholinecarboxylicacid, (3R)-Thiomorpholinecarboxylic acid, 3-Thiomorpholinecarboxylicacid, (3R)-, 3(R)-Thiomorpholinecarboxylic acid HCl, AC1L98SD, SCHEMBL707341, CHEBI:17195, CTK1A3238, KS-00002AHT, JOKIQGQOKXGHDV-UHFFFAOYSA-N, 1,4-Thiazinane-3-carboxylic acid, 3-thioxomorpholine-2-carboxylic acid, ANW-46527, CT-831, SBB053350, AKOS005257228, PS-5728, RP01541, VC30165, VZ33876, 1,4-thiazaperhydroine-3-carboxylic acid, perhydro-1,4-thiazine-3-carboxylic acid, AC-24553, BR-75896, SC-47973, tetrahydro-1,4-thiazine-3-carboxylic acid, AB0023354, DB-045439, ST2420009, TC-135272, 4CH-012987, 4CH-024050, A4554, FT-0638067, W4390, C03901, K-6053, T15150, Tetrahydro-2H-1,4-thiazinane-3-carboxylic acid, 222132A, 960T923, I09-0292, J-013739, J-524952, C5H9NO2S, (R)-thiomorpholine-3-carboxylic acid, (S)-thiomorpholine-3-carboxylic acid, CID440159, (3R)-thiomorpholine-3-carboxylic acid, (3S)-thiomorpholine-3-carboxylic acid, 65527-54-0, 3-Thiomorpholinecarboxylic acid (7CI,8CI,9CI), thiomorpholine-3-carboxylic acid, 95% - 1G 1g, 73401-53-3, 4,8-Dimethyl-8,9-dihydrophenanthro[3,2-b]furan-7,11-dione,

Complexity	118
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	147.035g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	147.192g/mol
Monoisotopic Mass	147.035g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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