Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 3-(mercaptomethyl)-2-benzothiazolinone
Basic information
- CAS
30725-72-5- Standard SMILES
COP(=S)(OC)SCn1c(=O)sc2ccccc21- InChIKey
DRPWJOLQCISWEU-UHFFFAOYSA-N- Molecular formula
- C10H12NO3PS3
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 320.97169376
Names & identifiers
- Preferred name
- Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 3-(mercaptomethyl)-2-benzothiazolinone
- IUPAC
- 3-(dimethoxyphosphinothioylsulfanylmethyl)-1,3-benzothiazol-2-one
- English name
- Dithiophosphoric acid O,O-dimethyl S-(2-oxobenzothiazol-3(2H)-ylmethyl) ester
- Molecular formula
- C10H12NO3PS3
- Molecular weight
- 321.38
Names & synonyms
Chipman RP 11807Rhodia RP-11807RP 11807ENT 27,111BRN 1220393AI3-2711130725-72-5Phosphorodithioic acid, O,O-dimethyl S-((2-oxo-3(2H)-benzothiazolyl)methyl) esterPhosphorodithioic acid, O,O-dimethyl ester, S-ester with 3-(mercaptomethyl)-2-benzothiazolinoneDTXSID10184749O,O-Dimethyl S-((2-oxo-3(2H)-benzothiazolyl)methyl) phosphorodithioateRefChem:371153
Show more names
RP-11807Dithiophosphoric acid O,O-dimethyl S-(2-oxobenzothiazol-3(2H)-ylmethyl) esterPhosphorodithioic acid, O,O-dimethyl S-[(2-oxo-3(2H)-benzothiazolyl)methyl] ester
DTXCID00107240o,o-dimethyl s-[(2-oxo-1,3-benzothiazol-3(2h)-yl)methyl] phosphorodithioateSCHEMBL31279370
Database identifiers
- CAS
30725-72-5- PubChem CID
- 207758
- DTXSID
DTXSID10184749- Nikkaji
- J34.656J
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 360
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…