AG000IQH

119433-80-6 | 4-Thiazolepropanoic acid, α-amino-, (αS)-

AG000IQH

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CAS Number	119433-80-6
Catalog Number	AG000IQH(AGN-PC-0PDBF5)
Chemical Name	4-Thiazolepropanoic acid, α-amino-, (αS)-
IUPAC Name	(2S)-2-amino-3-(1,3-thiazol-4-yl)propanoic acid
InChI	InChI=1S/C6H8N2O2S/c7-5(6(9)10)1-4-2-11-3-8-4/h2-3,5H,1,7H2,(H,9,10)/t5-/m0/s1
InChI Key	WBZIGVCQRXJYQD-YFKPBYRVSA-N
MDL Number	MFCD00079677
Molecular Formula	C6H8N2O2S
Molecular Weight	172.2049
SMILES	S1C=NC(=C1)C[C@H](N)C(=O)O
UNII	VTL1Y3S44B
Synonyms	119433-80-6, L-4-Thiazolylalanine, 3-(4-Thiazolyl)-L-alanine, (S)-2-Amino-3-(thiazol-4-yl)propanoic acid, Thiazolylalanine, 3-(4-Thiazoyl)-L-alanine, UNII-VTL1Y3S44B, (2S)-2-amino-3-(1,3-thiazol-4-yl)propanoic acid, VTL1Y3S44B, (s)-3-(4-thiazolyl)alanine, MFCD00079677, (2S)-2-amino-3-thiazol-4-yl-propanoic acid, l-Thiazolylalanine, 136010-41-8, Thiazolylalanine, l, 3-(4-thiazolyl)alanine, H-Ala(4-thiazolyl)-OH, 4-Thiazolepropanoic acid, alpha-amino-, (S)-, AC1MC52Y, SCHEMBL990477, CTK8B6243, DTXSID90152461, l-4-thiazolylalanine, AldrichCPR, ZINC2568081, ANW-53104, CT-469, FC0614, SBB066461, AKOS006283464, AKOS015856630, AL116-1, RTR-003266, AJ-41553, AN-10530, PS-12172, SC-71446, (S)-2-(thiazol-4-ylamino)propanoic acid, TR-003266, FT-0650689, FT-0659233, ST24026553, (2S)-2-amino-3-(4-thiazolyl)propanoic acid, (2S)-2-amino-3-thiazol-4-yl-propionic acid, 433T806, 4-Thiazolepropanoic acid, alpha-amino-, (alphaS)-, I09-0645, I09-0649, (2S)-2-azanyl-3-(1,3-thiazol-4-yl)propanoic acid, L-3-(4-Thiazolyl)-alanine, ACN-036753, CID2761495, A15155, (2R)-2-amino-3-(1,3-thiazol-4-yl)propanoic Acid, 131896-42-9,

Complexity	154
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	172.031g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	172.202g/mol
Monoisotopic Mass	172.031g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	104A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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