2-Methyl-2-thiazoline - CAS 2346-00-1

Catalog:	BB018067
Product Name:	2-Methyl-2-thiazoline
CAS:	2346-00-1
Synonyms:	2-methyl-4,5-dihydro-1,3-thiazole

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-methyl-4,5-dihydro-1,3-thiazole
Description:	2-Methyl-2-thiazoline (CAS# 2346-00-1) is a useful research chemical.
Molecular Weight:	101.17
Molecular Formula:	C4H7NS
Canonical SMILES:	CC1=NCCS1
InChI:	InChI=1S/C4H7NS/c1-4-5-2-3-6-4/h2-3H2,1H3
InChI Key:	JUIQOABNSLTJSW-UHFFFAOYSA-N
Boiling Point:	144-145 °C
Melting Point:	-101 °C
Purity:	95 %
Density:	1.067 g/cm³
Appearance:	Colorless to orange-yellow liquid
Storage:	2-8 °C
MDL:	MFCD00005314
LogP:	0.58720

Publication Number	Title	Priority Date
US-2015322376-A1	Fragrance Compositions	20140506
WO-2015171738-A2	Fragrance compositions	20140506
WO-2015160634-A1	Factor ixa inhibitors	20140416
WO-2015160636-A1	Factor ixa inhibitors	20140416
WO-2015096873-A1	Beta-hairpin peptidomimetics as selective elastase inhibitors	20131227

PMID	Publication Date	Title	Journal
18831547	20081103	Formation of P-C bonds under unexpectedly mild conditions. Phosphoryl migration and metal coordination of diphenylphosphinomethyl-oxazolines and -thiazolines	Inorganic chemistry
11781463	20020101	Hexa-mu-chloro-mu4-oxo-tetrakis[(4,5-dihydro-2-methyl-1,2-thiazole-kappaN)copper(II)]	Acta crystallographica. Section C, Crystal structure communications
11714312	20011101	N-heterocyclic derivatives of 2,4-dihydroxybenzcarbothioamide as antimycotic agents	Journal of agricultural and food chemistry

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Related Functional Groups

Oxazole/Thiazole

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2-Amino-4-(3,4-dimethoxyphenyl)-5-phenylthiazole
[852227-91-9]
N-Methyl-5-phenyl-3-isoxazolemethanamine hydrochloride
[262857-90-9]
(R)-4-(4-Aminobenzyl)-2-oxazolidinone
[117043-86-4]
4-(Aminomethyl)thiazole Hydrochloride
[937598-16-8]
Ethyl 2-[(4-acetylphenyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
[19749-93-0]
Ethyl 2-(2-chloroacetamido)-4-thiazoleacetate

Thiazolines/Thiazolidines

[553675-18-6]
2-(4-Biphenylylamino)-1,3-thiazol-4(5H)-one
[69570-82-7]
2-(4-Fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
[692270-68-1]
2-[(2-Nitrophenyl)amino]-1,3-thiazol-4(5H)-one
[27052-16-0]
2-m-Tolylamino-thiazol-4-one
[5718-83-2]
4-Oxo-2-thioxo-3-thiazolidinylacetic acid
[5908-62-3]
1,3-Propanesultam

GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	77.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	101.02992040
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	101.02992040
Rotatable Bond Count:	0
Topological Polar Surface Area:	37.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3