AG00BY5K

42607-21-6 | 2-Phenyl-1,3-thiazolane-4-carboxylic acid

AG00BY5K

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CAS Number	42607-21-6
Catalog Number	AG00BY5K(AGN-PC-0WAVC9)
Chemical Name	2-Phenyl-1,3-thiazolane-4-carboxylic acid
IUPAC Name	2-phenyl-1,3-thiazolidine-4-carboxylic acid
InChI	InChI=1S/C10H11NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-5,8-9,11H,6H2,(H,12,13)
InChI Key	AZDYQBFYMBALBY-UHFFFAOYSA-N
MDL Number	MFCD00170683
Molecular Formula	C10H11NO2S
Molecular Weight	209.2648
NSC Number	522094
SMILES	OC(C1NC(C2=CC=CC=C2)SC1)=O
Synonyms	2-phenylthiazolidine-4-carboxylic acid, 2-phenylthiazolidine-4-carboxylic acid hydrochloride, 2-phenylthiazolidine-4-carboxylic acid, (2R-trans)-isomer, 2-phenylthiazolidine-4-carboxylic acid, (2S-trans)-isomer, 2-phenylthiazolidine-4-carboxylic acid, cis-(+-)-isomer, 2-phenylthiazolidine-4-carboxylic acid, trans-(+-)-isomer, 2H-labeled, 42607-21-6, 2-Phenylthiazolidine-4-carboxylic acid, 2-Phenyl-1,3-thiazolidine-4-carboxylic acid, 2-phenyl-1,3-thiazolane-4-carboxylic acid, 2-Phenyl-4-thiazolidinecarboxylic acid, 4-Carboxy-2-phenylthiazolidine, 4-THIAZOLIDINECARBOXYLIC ACID, 2-PHENYL-, 4-Thiazolidinecarboxylic acid 2-phenyl-, NSC 522094, AZDYQBFYMBALBY-UHFFFAOYSA-N, MFCD00170683, 2-Phenyl-thiazolidine-4-carboxylic acid, 2-Phenyl-4-thiazolidine-4-carboxylic acid, NSC522094, ChemDiv3_010937, AC1Q74QN, phenylthiazolanecarboxylicacid, CBDivE_001897, AC1L21C1, SCHEMBL2029800, CTK1D7488, KS-00001YNM, HMS1504B03, ALBB-015387, BBL028315, STK723023, AKOS000201174, AKOS016051145, CCG-139353, MCULE-6130180996, NSC-522094, RP12194, SDCCGMLS-0064685.P001, IDI1_028495, 38984-58-6, ST078259, LS-151205, TR-016663, FT-0676633, EN300-24455, 6P-115, Y-9938, 2-Phenyl-1,3-thiazolidine-4-carboxylic acid #, J-510277, BRD-A85402630-001-01-9, Z199040648, A3378/0143319, 2-DIPHENYLAMINO-ETHANOL, CID39237, C10-H11-N-O2-S, (4S)-2-Phenylthiazolidine-4-carboxylic acid, 2-PHENYL-1,3-THIAZOLIDINE-4-CARBOXYLICACID, 205985-93-9,

Complexity	216
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.051g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	209.263g/mol
Monoisotopic Mass	209.051g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	-0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
UN Code

Certificate of Analysis

Lot Number