2-Thiazoleacetic acid

CAT: 0926-FT36474Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-FT36474Size:250 mg

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CAS Number

188937-16-8

Synonyms

1,3-Thiazol-2-Ylacetic Acid

MDL Number

MFCD02094168

Smiles

C1=CSC (=N1) CC (=O) O

Molecular Formula

C5H5NO2S

Molecular Weight

143.16 g/mol

Controlled

Chemical Information

2-Thiazoleacetic acid

CAS Number	188937-16-8
PubChem CID	21220663
IUPAC Name	2-(1,3-thiazol-2-yl)acetic acid
Molecular Formula	C5H5NO2S
Molecular Weight	143.17
XLogP	0.5
Topological Polar Surface Area	78.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	9
Formal Charge	0
Complexity	118

SMILES

C1=CSC(=N1)CC(=O)O

InChI

InChI=1S/C5H5NO2S/c7-5(8)3-4-6-1-2-9-4/h1-2H,3H2,(H,7,8)

InChIKey

YXTMFYBABGJSBY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 188937-16-8

CID: 21220663

Formula: C5H5NO2S

MW: 143.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	143.17
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	143.00409958
Monoisotopic Mass	143.00409958
Topological Polar Surface Area	78.4 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	118
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
XDA91060-01	2-Amino-α-methylene-4-thiazoleacetic acid
FA17866-01	2-Amino-a- (methoxyimino) -4-thiazoleacetic acid
FAA25533-01	4-Methyl-5-thiazoleacetic acid
PCA22026-01	2- (Tritylamino) -4-thiazolylacetic acid
FD29145-01	2,2-Dimethylsuccinic acid
YAA77294-01	2,2-Dicyclopropylacetic acid
EBA66290-01	2,2-Dimethyloctanoic acid
AHA28661-01	2,2-Difluorohexanoic acid
AAA81358-01	2,2-Diethylbutanoic acid
CAA87473-01	2,2-Dimethyldodecanoic acid

Catalog	Name
OR905873-01	2-Thiazoleacetic acid
sc-229880	2-Amino-4-thiazoleacetic acid
433366	4-Phenyl-2-thiazoleacetic Acid
413115-01	2- (2-Chloroacetamido) -4-thiazoleacetic acid
TRC-P336957-50MG	4-Phenyl-2-thiazoleacetic Acid-d5
002326	2-Amino-α- (methoxyimino) -4-thiazoleacetic Acid
259596-01	2-Amino-a- (methoxyimino) -4-thiazoleacetic acid
OR1001900-01	4-Thiazoleacetic acid, 2-iodo-a, a-dimethyl-
TRC-A611963-1G	2-Amino-a-(methoxyimino)-4-thiazoleacetic Acid
BUP23344-01	4-Thiazoleacetic acid, 2- (4-ethoxyphenyl) -