TYT-1

CAT: 0127-BUP23737-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP23737-02Size:25 mg

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

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CAS Number

64803-10-7

Synonyms

NSC298213

Purity

≥98%

Smiles

N (C (N (C1=CC=CC=C1) C2=CC=CC=C2) =S) =C3N (S (=O) (=O) CS3) C4=CC=CC=C4

Chemical Information

(3Z)-3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-diphenylthiourea

CAS Number	64803-10-7
PubChem CID	9555338
IUPAC Name	(3Z)-3-(1,1-dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-diphenylthiourea
Molecular Formula	C21H17N3O2S3
Molecular Weight	439.6
XLogP	5.5
Topological Polar Surface Area	119
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	29
Formal Charge	0
Complexity	683

SMILES

C1S/C(=N\C(=S)N(C2=CC=CC=C2)C3=CC=CC=C3)/N(S1(=O)=O)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O2S3/c25-29(26)16-28-21(24(29)19-14-8-3-9-15-19)22-20(27)23(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15H,16H2/b22-21-

InChIKey

WHFLLSDSNHZKAX-DQRAZIAOSA-N

Chemical Structure

2D Structure

CAS: 64803-10-7

CID: 9555338

Formula: C21H17N3O2S3

MW: 439.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	439.6
XLogP3	5.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	439.04829031
Monoisotopic Mass	439.04829031
Topological Polar Surface Area	119 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	683
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
BUP12620-01	1,1,1,1-Kestohexaose
OR312388	1-Phenylbicyclo[1.1.1]pentane
OR300179	1-Isothiocyanatobicyclo[1.1.1]pentane
OR300174	1-Isocyanatobicyclo[1.1.1]pentane
PC7819M-01	1,1,1-Trifluoropropane
OR1044052-01	1,1,1-Trimethoxypropane
OR305626	1,1,1-Triphenylsilanamine
PC2909	1,1,1-Trifluorobutane
OR16079-01	1,1,1-Trichloroacetone
PC01657-01	1,1,1-Trifluorohexane

Catalog	Name
HY-122196	TYT-1
OF59775-01	1,1,1,1,1-Kestoheptaose
N2864-5.1	1,1,1,1-Kestohexaose
112040	1,1,1,1-Kestohexose
410417-01	1,1,1-Trichloromethanesulfonic Acid 1,1'-Anhydride
IFA69273-01	1-Iodobicyclo[1.1.1]pentane
GTR19217879-01	AMPK-α1β1γ1 activator 1