Name: Name:(5E)-5-(4-Isopropylbenzylidene)-2-mercapto-1,3-thiazol-4(5h)-one
Brand: Angene
SKU: AG0001VB
Rating: 90 (10 reviews)

(5E)-5-(4-Isopropylbenzylidene)-2-mercapto-1,3-thiazol-4(5h)-one

CAS No.:

100393-19-9

Catalog Number:

AG0001VB

Molecular Formula:

C13H13NOS2

Molecular Weight:

263.3784

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Purity

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Price(USD)

Quantity

95%

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United States

$316

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Catalog Number:

AG0001VB

Chemical Name:

(5E)-5-(4-Isopropylbenzylidene)-2-mercapto-1,3-thiazol-4(5h)-one

CAS Number:

100393-19-9

Molecular Formula:

C13H13NOS2

Molecular Weight:

263.3784

MDL Number:

MFCD04969047

IUPAC Name:

(5E)-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

InChI:

InChI=1S/C13H13NOS2/c1-8(2)10-5-3-9(4-6-10)7-11-12(15)14-13(16)17-11/h3-8H,1-2H3,(H,14,15,16)/b11-7+

InChI Key:

ZLKBBUUMEJPMIP-YRNVUSSQSA-N

SMILES:

CC(c1ccc(cc1)C=C1SC(=S)NC1=O)C

Complexity:

354

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

263.044g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

263.373g/mol

Monoisotopic Mass:

263.044g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9