CAS 76788-46-0|2-Ethyl-4,5-dimethylthiazoline|4,5-二甲基-2-乙基-3-噻唑啉|2-乙基-4,5-二甲基-3-噻唑啉|2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole|2-Ethyl-2,5-dihydro-4,5-dimethylthiazole|2-ethyl-4,5...

General Information

Structure

Molecular Formula

C₇H₁₃NS

Molecular Mass

143.24982

Exact Mass

143.07687042

Charge

InChI

InChI=1S/C7H13NS/c1-4-7-8-5(2)6(3)9-7/h6-7H,4H2,1-3H3

InChIKey

CSACPVARWHDAET-UHFFFAOYSA-N

Canonic Smiles

CCC1N=C(C(S1)C)C

Isomeric Smiles

CCC1N=C(C(S1)C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.7535505

LogD (pH = 7.4)

1.9389404

Log P

1.9418994

Molar Refractivity

42.5153

Polarizability

16.69746

Polar Surface Area

12.36

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

2-Ethyl-4,5-dimethylthiazoline4,5-二甲基-2-乙基-3-噻唑啉2-乙基-4,5-二甲基-3-噻唑啉2-Ethyl-2,5-dihydro-4,5-dimethylthiazole4,5-Dimethyl-2-ethyl-3-thiazoline, mixture of isomers2-Ethyl-4,5-dimethyl-3-thiazoline2-乙基-4,5-二甲基--3-噻唑啉, 顺式 + 反式4,5-Dimethyl-2-ethyl-3-thiazoline2-Ethyl-4,5-dimethyl-3-thiazoline, cis + trans

IUPAC Traditional name

2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole

IUPAC name

2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole

Names and Identifiers

Registration numbers

MDL Number

MFCD01680821MFCD01680822

EC Number

278-551-3

Flavis Number

15.03