Basic information
- CAS
5840-95-9- Standard SMILES
CCOC(=O)NCCSP(=S)(OC)OC- InChIKey
DVJRPESMHBHCED-UHFFFAOYSA-N- Molecular formula
- C7H16NO4PS2
- Average molar mass
- 273.3 g/mol
- Monoisotopic mass
- 273.02583734
Names & identifiers
- Preferred name
- Ent 25801
- IUPAC
- ethyl N-(2-dimethoxyphosphinothioylsulfanylethyl)carbamate
- English name
- ETHYL(2-MERCAPTOETHYL)CARBAMATES-ESTERWITHO,O-DIMETHY.
- Molecular formula
- C7H16NO4PS2
- Molecular weight
- 273.31
Names & synonyms
Stauffer R-3442-Sethyl N-(2-dimethoxyphosphinothioylsulfanylethyl)carbamateENT 25,801-aENT 25,801BRN 18801604RK78N8QR6R-3422-SEthyl 3-methyoxy-2-oxa-4-thia-7-aza-3-phosphaoctan-8-oate 3-sulfideENT 25801R-3,422UNII-4RK78N8QR6Ethyl (2-mercaptoethyl) carbamate S-ester with O,O-dimethyl phosphorodithioate
Show more names
R-3422DETHYL(2-MERCAPTOETHYL)CARBAMATES-ESTERWITHO,O-DIMETHY.N-[2-[(Dimethoxyphosphinothioyl)thio]ethyl]carbamic acid ethyl ester2-Oxa-4-thia-7-aza-3-phosphaoctan-8-oic acid, 3-methoxy-, ethyl ester, 3-sulfide (9CI)
Ethyl (2-((diethoxyphosphinothioyl)thio)ethyl)carbamateEthyl-N-(2-(O,O-dimethylphosphorodithioyl)ethyl)carbamateDTXSID8041953R-3422Carbamic acid, (2-((diethoxyphosphinothioyl)thio)ethyl)-, ethyl esterS-(O,O-Dimethylphosphorodithioate) of N-(2-mercaptoethyl)ethylcarbamateCARBAMIC ACID, N-(2-(O,O-DIMETHYLPHOSPHORODITHIOYL)ETHYL)-, ETHYL ESTERR-3422S
Database identifiers
- CAS
5840-95-9- PubChem CID
- 22100
- DTXSID
DTXSID8041953- UNII
- 4RK78N8QR6
- Nikkaji
- J55.511H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- FDA UNII
- 4 RK78N8QR6 · 4RK78N8QR6
- EPA Substance Registry System
- 3 · Ethyl 3-methyoxy-2-oxa-4-thia-7-aza-3-phosphaoctan-8-oate 3-sulfide (5840-95-9)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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