CCF642 50mg

CAT: 0628-A16122-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A16122-50Size:50 mg

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

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CAS Number

346640-08-2

Chemical Information

3-(4-Methoxyphenyl)-5-[(5-nitro-2-thienyl)methylene]-2-thioxo-4-thiazolidinone

CAS Number	346640-08-2
PubChem CID	1820764
IUPAC Name	(5E)-3-(4-methoxyphenyl)-5-[(5-nitrothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Molecular Formula	C15H10N2O4S3
Molecular Weight	378.5
XLogP	4.4
Topological Polar Surface Area	161
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	24
Formal Charge	0
Complexity	570

SMILES

COC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(S3)[N+](=O)[O-])/SC2=S

InChI

InChI=1S/C15H10N2O4S3/c1-21-10-4-2-9(3-5-10)16-14(18)12(24-15(16)22)8-11-6-7-13(23-11)17(19)20/h2-8H,1H3/b12-8+

InChIKey

SPYIETQLOVDJCF-XYOKQWHBSA-N

Chemical Structure

2D Structure

CAS: 346640-08-2

CID: 1820764

Formula: C15H10N2O4S3

MW: 378.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	378.5
XLogP3	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	377.98027033
Monoisotopic Mass	377.98027033
Topological Polar Surface Area	161 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	570
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
BUP08057-01	CCF642
HY-100430R	CCF642 (Standard)
PPCBRPC010L50GA	50mg/1mL
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