CCG 50014 100mg

CAT: 0628-A16432-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A16432-100Size:100 mg

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

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CAS Number

883050-24-6

Chemical Information

Ccg-50014

CAS Number	883050-24-6
PubChem CID	2733079
IUPAC Name	4-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione
Molecular Formula	C16H13FN2O2S
Molecular Weight	316.4
XLogP	3.5
Topological Polar Surface Area	65.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	432

SMILES

CC1=CC=C(C=C1)N2C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C16H13FN2O2S/c1-11-2-8-14(9-3-11)19-15(20)18(16(21)22-19)10-12-4-6-13(17)7-5-12/h2-9H,10H2,1H3

InChIKey

QUIIIYITNGOFEI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 883050-24-6

CID: 2733079

Formula: C16H13FN2O2S

MW: 316.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	316.4
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	316.06817700
Monoisotopic Mass	316.06817700
Topological Polar Surface Area	65.9 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	432
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes