Product Name

  • Name

    Thiomorpholine-3-carboxylic acid ethyl ester hydrochloride

  • EINECS
  • CAS No. 159381-07-4
  • Density
  • Solubility
  • Melting Point
  • Formula C7H13NO2S.HCl
  • Boiling Point 297.5 °C at 760 mmHg
  • Molecular Weight 211.713
  • Flash Point 133.7 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes  C:;
  • Molecular Structure Molecular Structure of 159381-07-4 (Thiomorpholine-3-carboxylic acid ethyl ester hydrochloride)
  • Hazard Symbols CorrosiveC
  • Synonyms 3-Thiomorpholinecarboxylicacid, ethyl ester, hydrochloride (9CI);3-Thiomorpholinecarboxylic acid, ethylester, hydrochloride, (?à)-;ethyl thiomorpholine-3-carboxylate hydrochloride;3-Thiomorpholinecarboxylic acid, ethyl ester, hydrochloride (1:1);Ethyl thiomorpholine-3-carboxylate hydrochloride (1:1);Ethylthiomorpholin-3-carboxylathydrochlorid(1:1);ethyl thiomorpholine-3-carboxylate hydrochloride;Thiomorpholine-3-carboxylic acid ethyl ester;Thiomorpholine-3-carboxylic acid ethyl ester hydrochloride;
  • PSA 63.63000
  • LogP 1.38530

Thiomorpholine-3-carboxylic acid ethyl ester hydrochloride Specification

The Thiomorpholine-3-carboxylic acid ethyl ester hydrochloride, with the CAS registry number 159381-07-4, has the systematic name and IUPAC name of ethyl thiomorpholine-3-carboxylate hydrochloride. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C7H13NO2S.HCl.

The characteristics of Thiomorpholine-3-carboxylic acid ethyl ester hydrochloride are as followings: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 42; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 63.63 Å2 ; (12)Flash Point: 133.7 °C; (13)Enthalpy of Vaporization: 54.81 kJ/mol; (14)Boiling Point: 297.5 °C at 760 mmHg; (15)Vapour Pressure: 0.00101 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.O=C(OCC)C1CSCCN1
(2)InChI: InChI=1/C7H13NO2S.ClH/c1-2-10-7(9)6-5-11-4-3-8-6;/h6,8H,2-5H2,1H3;1H
(3)InChIKey: QQRCEZBURAQLBQ-UHFFFAOYAN 

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