4,5-Dimethyl-2-isobutyl-3-thiazoline - CAS 65894-83-9

Catalog:	BB032848
Product Name:	4,5-Dimethyl-2-isobutyl-3-thiazoline
CAS:	65894-83-9
Synonyms:	4,5-dimethyl-2-(2-methylpropyl)-2,5-dihydro-1,3-thiazole

Technical Data

Patents

Computed Properties

IUPAC Name:	4,5-dimethyl-2-(2-methylpropyl)-2,5-dihydro-1,3-thiazole
Description:	4,5-Dimethyl-2-isobutyl-3-thiazoline (CAS# 65894-83-9 ) is a useful research chemical.
Molecular Weight:	171.30
Molecular Formula:	C9H17NS
Canonical SMILES:	CC1C(=NC(S1)CC(C)C)C
InChI:	InChI=1S/C9H17NS/c1-6(2)5-9-10-7(3)8(4)11-9/h6,8-9H,5H2,1-4H3
InChI Key:	FDOISHJOXPONIV-UHFFFAOYSA-N
Boiling Point:	233.5 °C at 760 mmHg
Purity:	98 %
Density:	1.04 g/cm³
Solubility:	Insoluble in water; Miscible in fats
Appearance:	Light yellow liquid.
MDL:	MFCD01680822
LogP:	2.39040

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Related Functional Groups

Thiazolines/Thiazolidines

[2682-20-4]
Methylisothiazolinone
[101869-79-8]
2-[(2,5-Dichlorophenyl)amino]-1,3-thiazol-4(5H)-one
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4-(2,4-Dioxothiazolidin-5-ylidenemethyl)benzoic acid
[86240-28-0]
(5Z)-5-(Ethoxymethylene)-2-thioxo-1,3-thiazolidin-4-one
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tert-butyl 4-chlorothiazol-2-ylcarbamate
[65894-83-9]
4,5-Dimethyl-2-isobutyl-3-thiazoline

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Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.10817072
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	171.10817072
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.7
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6