(5Z)-3-prop-2-enyl-...

(5Z)-3-prop-2-enyl-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one 5243-66-3

(5Z)-3-prop-2-enyl-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one 5243-66-3

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Keywords

3-prop-2-enyl-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-thiazolidin-4-one (5Z)-3-prop-2-enyl-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one 5243-66-3

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  • Appearance:Liquid
  • Application:Organic Chemicals
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  • ProductionCapacity:10|Kilogram|Month
  • Storage:Room Temperature
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Details:

Identification and Related Records
【Name】
3-(prop-2-en-1-yl)-5-(pyridin-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
【CAS Registry number】
5243-66-3
【Synonyms】
AC1L8B0V
3-prop-2-enyl-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
【Molecular Formula】
C12H10N2OS2 (Products with the same molecular formula)
【Molecular Weight】
262.3506
【Inchi】
InChI=1/C12H10N2OS2/c1-2-7-14-11(15)10(17-12(14)16)8-9-5-3-4-6-13-9/h2-6,8H,1,7H2
【Canonical SMILES】
C=CCN1C(=O)C(=CC2=CC=CC=N2)SC1=S
【MOL File】
5243-66-3.mol
Chemical and Physical Properties
【Density】
1.37g/cm3
【Boiling Point】
400.5°C at 760 mmHg
【Refractive Index】
1.698
【Flash Point】
196°C
【Computed Properties】
Molecular Weight:262.3506 [g/mol]
Molecular Formula:C12H10N2OS2
XLogP3-AA:2.6
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:3
Exact Mass:262.023454
MonoIsotopic Mass:262.023454
Topological Polar Surface Area:90.6
Heavy Atom Count:17
Formal Charge:0
Complexity:379
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:2
Effective Rotor Count:3.4
Conformer Sampling RMSD:0.6
CID Conformer Count:15

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