Name: Name:(5E)-5-(3-Isopropoxybenzylidene)-2-mercapto-1,3-thiazol-4(5h)-one
Brand: Angene
SKU: AG000X0I
Rating: 90 (10 reviews)

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

CAS No.:

127378-77-2

Catalog Number:

AG000X0I

Molecular Formula:

C13H13NO2S2

Molecular Weight:

279.3778

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

95%

In Stock USA

United States

$129

- +

95%

In Stock USA

United States

$316

- +

Catalog Number:

AG000X0I

Chemical Name:

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

CAS Number:

127378-77-2

Molecular Formula:

C13H13NO2S2

Molecular Weight:

279.3778

MDL Number:

MFCD04054644

IUPAC Name:

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

InChI:

InChI=1S/C13H13NO2S2/c1-8(2)16-10-5-3-4-9(6-10)7-11-12(15)14-13(17)18-11/h3-8H,1-2H3,(H,14,15,17)/b11-7+

InChI Key:

OMFWLYLAOJXAOG-YRNVUSSQSA-N

SMILES:

CC(Oc1cccc(c1)C=C1SC(=S)NC1=O)C

Complexity:

379

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

279.039g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

279.372g/mol

Monoisotopic Mass:

279.039g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

95.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6