Basic information
- CAS
36614-38-7- Standard SMILES
COP(=S)(OC)SCCSC(C)C- InChIKey
SPCNPOWOBZQWJK-UHFFFAOYSA-N- Molecular formula
- C7H17O2PS3
- Average molar mass
- 260.4 g/mol
- Monoisotopic mass
- 260.0128303
Names & identifiers
- Preferred name
- Isothioate
- IUPAC
- dimethoxy-(2-propan-2-ylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane
- English name
- Isothioate
- Molecular formula
- C7H17O2PS3
- Molecular weight
- 260.38
Names & synonyms
ISOTHIOATEHosdonHosalon36614-38-7IsothionateHodsonHosdon granuleIsothioate [BSI:ISO]S-2-Isopropylthioethyl O,O-dimethyl phosphorodithioateUNII-H1Z853CI1SZ-7272H1Z853CI1S
Show more names
Phosphorodithioic acid O,O-dimethyl S-(2-isopropylthioethyl)Dithiophosphoric acid S-(2-isopropylthioethyl)O,O-dimethyl esterDithiophosphoric acid O,O-dimethyl S-(2-isopropylthioethyl) ester
ISOTHIOATE [ISO]Phosphorodithioic acid, S-2-(isopropylthio)ethyl O,O-dimethyl esterPhosphorodithioic acid, O,O-dimethyl S-(2-((1-methylethyl)thio)ethyl) esterO,O-Dimethyl-S-2-(isopropylthio)ethylphosphorodithioateDTXSID9058070O,O-Dimethyl S-(2-((1-methylethyl)thio)ethyl) phosphorodithioateO,O-Dimethyl S-((2-isopropylthio)ethyl) phosphorodithioatePhosphorodithioic acid, O,O-dimethyl S-[2-[(1-methylethyl)thio]ethyl] ester
Database identifiers
- CAS
36614-38-7- PubChem CID
- 37490
- DTXSID
DTXSID9058070- UNII
- H1Z853CI1S
- Nikkaji
- J3.812A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Boiling point
- 55 °C · 55°C (rough estimate)
- Density
- 1.18 · 1.1800
- Water Solubility
- 97 mg/L · 97mg/L(25 ºC)
- FDA UNII
- 1 Z853CI1S · H1Z853CI1S
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501
- Hazard Codes
- T
- Risk Statements
- 24 · 24/25
- Safety Statements
- 28 · 28-36/37-45
- RIDADR
- 3018 · 3018
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)
Hazard information
Hazard Classes and Categories
Acute toxicity - category 3
Acute toxicity (Oral) - Category 3
Acute Tox. 3 *
Safety data
- ridadr
- 3018
- risk_code
- 24/25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 28-36/37-45
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard statements
- H301-H311
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
Wuhan Han Sheng New Material Technology Co.，Ltd+86-17798174412 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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