2-Acetyl-2-thiazoline

CAT: 0127-OR95286-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR95286-01Size:1 g

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CAS Number

29926-41-8

Purity

98%

Smiles

CC(=O)C1=NCCS1

Chemical Information

2-Acetyl-2-thiazoline

2-Acetyl-4,5-dihydrothiazole is a member of thiazoles.

CAS Number	29926-41-8
PubChem CID	169110
IUPAC Name	1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone
Molecular Formula	C5H7NOS
Molecular Weight	129.18
XLogP	0.2
Topological Polar Surface Area	54.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	141

SMILES

CC(=O)C1=NCCS1

InChI

InChI=1S/C5H7NOS/c1-4(7)5-6-2-3-8-5/h2-3H2,1H3

InChIKey

FZOZFDAMVVEZSJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 29926-41-8

CID: 169110

Formula: C5H7NOS

MW: 129.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	129.18
XLogP3	0.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	129.02483502
Monoisotopic Mass	129.02483502
Topological Polar Surface Area	54.7 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	141
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
OR1010542	2-Methyl-2-Thiazoline
OR1037832-01	2-Amino-4-imino-2-thiazoline hydrochloride
BUP06718-01	NAG-thiazoline
OR920686-01	4,5-Dimethyl-2-isobutyl-3-thiazoline
OR4953-01	2-Acetyl-1,3-thiazole
OR913438-01	(2-Acetyl-phenoxy) -acetic acid
BUP23244-01	4-Acetyl-2- (2-methylthiazol-4-yl) thiazole
OR1102294	Acetyl tetrapeptide-2
PC535018-01	2- (4-Acetyl-2-fluorophenyl) acetic acid
OR1057276-01	2- (4-Acetyl-2-methoxyphenoxy) acetic acid

Catalog	Name
002568	2-Amino-2-thiazoline
sc-251779A	2-Methyl-2-thiazoline
418878-01	2-Methylthio-2-thiazoline
MA141200-01	N-Acetyl-glucosaminyl thiazoline
sc-223260	2- (Methylthio) -2-thiazoline
sc-254293A	2-Thiazoline-2-thiol
sc-223393	2-Amino-2-thiazoline hydrochloride
MA158083-01	N-Acetyl-glucosaminyl thiazoline triaacetate
261300-01	2-Amino-2-thiazoline-4-carboxylic acid
sc-265375	2-Amino-4-imino-2-thiazoline hydrochloride