PFM01

CAT: 0127-BUP10869-05Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP10869-05Size:200 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1558598-41-6

Purity

=98%

Smiles

CC(C)CN1C(=S)S\C(=C/c2ccc(O)cc2)C1=O

Chemical Information

Pfm01

CAS Number	1558598-41-6
PubChem CID	2145809
IUPAC Name	(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Molecular Formula	C14H15NO2S2
Molecular Weight	293.4
XLogP	4
Topological Polar Surface Area	97.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	398

SMILES

CC(C)CN1C(=O)/C(=C/C2=CC=C(C=C2)O)/SC1=S

InChI

InChI=1S/C14H15NO2S2/c1-9(2)8-15-13(17)12(19-14(15)18)7-10-3-5-11(16)6-4-10/h3-7,9,16H,8H2,1-2H3/b12-7-

InChIKey

GPURHDUTZUYAFI-GHXNOFRVSA-N

Chemical Structure

2D Structure

CAS: 1558598-41-6

CID: 2145809

Formula: C14H15NO2S2

MW: 293.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	293.4
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	293.05442107
Monoisotopic Mass	293.05442107
Topological Polar Surface Area	97.9 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	398
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP20988-01	PFM03

Catalog	Name
BA4089-50	PFM01