S-sec-Butyl O-ethyl (2-oxo-1,3-thiazolidin-3-yl)phosphonothioate

Basic Information

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CAS Number

98886-44-3

Molecular Formula

C9H18NO3PS2

Molecular Weight

283.36 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Insecticides

Basic Physical Properties

Boiling Point

bp0.5 198°

Density

1.26

Flash Point

178.3 °C

Refractive Index

n19.6D 1.5334

SMILES

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CCC(C)SP(=O)(N1CCSC1=O)OCC

InChI

InChI=1S/C9H18NO3PS2/c1-4-8(3)16-14(12,13-5-2)10-6-7-15-9(10)11/h8H,4-7H2,1-3H3

InChIKey

DUFVKSUJRWYZQP-UHFFFAOYSA-N

LogP

3.831500000000003

Topological Polar Surface Area

46.61 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

301

Safety Information

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Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

H318 Causes serious eye damage
Serious eye damage/eye irritation

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 6.1(b) Class 6.1(b)

Toxicity

LD50 in male, female mice, male, female rats (mg/kg): 104, 91, 73, 57 orally; in male, female rats (mg/kg): 2396, 861 dermally. LC50 in male, female rats (mg/l): 0.832, 0.558 by inhalation (Toki).

Synonyms & References

English

FOSTHIAZATE [ISO]
98886-44-3
Fosthiazate 10 microg/mL in Acetonitrile
NCGC00254961-01
Fosthiazate, PESTANAL(R), analytical standard
CS-0031917
S-sec-butyl O-ethyl (2-oxo-1,3-thiazolidin-3-yl)phosphonothioate
O-Ethyl S-(1-methylpropyl) (2-oxo-3-thiazolidinyl)phosphonothioate
SCHEMBL73578
DUFVKSUJRWYZQP-UHFFFAOYSA-N
CHEBI:38692
O-Ethyl S-(1-methylpropyl) 2-oxo-3-thiazolidinylphosphonothioate
(RS)-S-SEC-BUTYL-O-ETHYL-2-OXO-1,3-THIAZOLODIN-3-YLPHOSPHONOTHIOATE
S-sec-Butyl O-ethyl 2-oxo-3-thiazolidinylphosphonothioate
FOSTHIAZATE (ISO:BSI)
Phosphonothioic acid, (2-oxo-3-thiazolidinyl)-, O-ethyl S-(1-methylpropyl) ester
NS00000489
Q1266349
FOSTHIAZATE [MI]
O-ethyl S-(butan-2-yl) (2-oxo-1,3-thiazolidin-3-yl)phosphonothioate
CAS-98886-44-3
IKI 1145
DTXSID0034930
C18402
DTXCID8014930
(RS)-(S-(RS)-SEC-BUTYL O-ETHYL 2-OXO-1,3-THIAZOLIDIN-3-YLPHOSPHONOTHIOATE)
InChI=1/C9H18NO3PS2/c1-4-8(3)16-14(12,13-5-2)10-6-7-15-9(10)11/h8H,4-7H2,1-3H3
HSDB 7961
FOSTHIAZATE-2
A845920
96QJ4O095U

MDL Number

MFCD00274595

FAQ

What is S-sec-Butyl O-ethyl (2-oxo-1,3-thiazolidin-3-yl)phosphonothioate (CAS: 98886-44-3)?

S-sec-Butyl O-ethyl (2-oxo-1,3-thiazolidin-3-yl)phosphonothioate (CAS: 98886-44-3) is an organophosphorus compound with the chemical formula C10H19NO4S2P. It is characterized by its thiazolidine ring and phosphonothioate functional group, making it a potential intermediate in the synthesis of pharmaceuticals and agrochemicals. The compound is typically used in research settings for its chemical versatility and reactivity.

What are the main uses of S-sec-Butyl O-ethyl (2-oxo-1,3-thiazolidin-3-yl)phosphonothioate (CAS: 98886-44-3)?

S-sec-Butyl O-ethyl (2-oxo-1,3-thiazolidin-3-yl)phosphonothioate (CAS: 98886-44-3) is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in the synthesis of pesticides and other agrochemicals. Due to its reactivity, it is valuable in organic chemistry for creating complex molecules and functional groups in various research and industrial contexts.

Is S-sec-Butyl O-ethyl (2-oxo-1,3-thiazolidin-3-yl)phosphonothioate (CAS: 98886-44-3) safe?

S-sec-Butyl O-ethyl (2-oxo-1,3-thiazolidin-3-yl)phosphonothioate (CAS: 98886-44-3) requires careful handling due to its potential toxicity. It is advisable to use personal protective equipment (PPE) such as gloves and goggles when working with this compound. Safety data sheets (SDS) should be consulted for specific guidelines, and it is generally not considered safe for direct human exposure without proper precautions.

How should S-sec-Butyl O-ethyl (2-oxo-1,3-thiazolidin-3-yl)phosphonothioate (CAS: 98886-44-3) be stored?

S-sec-Butyl O-ethyl (2-oxo-1,3-thiazolidin-3-yl)phosphonothioate (CAS: 98886-44-3) should be stored in a cool, dry, and well-ventilated area, away from direct light. It is recommended to keep the compound in a sealed container to prevent moisture ingress and maintain stability. Storage conditions should be controlled to ensure safety and longevity of the chemical.