Athidathion

CAT: 0013-GTR19204007-02Size: 50 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0013-GTR19204007-02Size:50 mg

Selected

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

Quick Request Actions

Description

Athidathion

CAS Number

19691-80-6

Smiles

O=C1SC (=NN1CSP (=S) (OCC) OCC) OC

Molecular Formula

C8H15N2O4PS3

Molecular Weight

330.38

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Athidathion

Athidathion is an aromatic ether.

CAS Number	19691-80-6
PubChem CID	88197
IUPAC Name	3-(diethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one
Molecular Formula	C8H15N2O4PS3
Molecular Weight	330.4
XLogP	3.2
Topological Polar Surface Area	143
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Heavy Atom Count	18
Formal Charge	0
Complexity	369

SMILES

CCOP(=S)(OCC)SCN1C(=O)SC(=N1)OC

InChI

InChI=1S/C8H15N2O4PS3/c1-4-13-15(16,14-5-2)17-6-10-8(11)18-7(9-10)12-3/h4-6H2,1-3H3

InChIKey

QAOFKYGUSMPWNY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19691-80-6

CID: 88197

Formula: C8H15N2O4PS3

MW: 330.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	330.4
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	329.99315748
Monoisotopic Mass	329.99315748
Topological Polar Surface Area	143 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	369
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