Trithiozine

CAT: 0127-BUP02246-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP02246-02Size:10 mg

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

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CAS Number

35619-65-9

Synonyms

Tresanil, Sulmetozine, Tritiozinum, Tritiozine, Tritiozina

Purity

=90%

Smiles

COC1=CC(=CC(OC)=C1OC)C(=S)N1CCOCC1

Chemical Information

Trithiozine

Tritiozine is a member of methoxybenzenes.

CAS Number	35619-65-9
PubChem CID	65790
IUPAC Name	morpholin-4-yl-(3,4,5-trimethoxyphenyl)methanethione
Molecular Formula	C14H19NO4S
Molecular Weight	297.37
XLogP	1.5
Topological Polar Surface Area	72.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	20
Formal Charge	0
Complexity	308

SMILES

COC1=CC(=CC(=C1OC)OC)C(=S)N2CCOCC2

InChI

InChI=1S/C14H19NO4S/c1-16-11-8-10(9-12(17-2)13(11)18-3)14(20)15-4-6-19-7-5-15/h8-9H,4-7H2,1-3H3

InChIKey

MVOUIYUWRXPNKD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 35619-65-9

CID: 65790

Formula: C14H19NO4S

MW: 297.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	297.37
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	297.10347926
Monoisotopic Mass	297.10347926
Topological Polar Surface Area	72.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	308
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

Catalog	Name
BUP16709-01	Anethole trithione
OR1028271-01	Anethole Trithione
BUP11023-01	Desmethylanethol trithione
OR1023774	1,4,7-Trithionane
OR1025605-01	Pyrimidine-2,4,6 (1H,3H,5H) -Trithione

Catalog	Name
GTR19171991-01	Trithiozine
HY-108287R-01	Trithiozine (Standard)